Geometry & MOs

Info

ID:

230404

PubChem CID:

87570802

Reduced:

N2O9H24C26 (1)

Stoich.:

A2B9C24D26 (1)

Weight, g/mol:

529.173702

ΔHf, kcal/mol:

-79.48

Dipole, Da:

10.06

IP(EA), eV:

 -9.0(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[8-[2-(2,2-difluoroethoxy)-5-(difluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC=CC=CC(C1=CC2=C(C=C1)OCO2)([N+](=O)[O-])OC(C=CC=CC)(C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

DOS

IR

Vibrations