Geometry & MOs

Info

ID:

448980

PubChem CID:

135294947

Reduced:

O2N3C29H31 (1)

Stoich.:

A2B3C29D31 (1)

Weight, g/mol:

551.307182

ΔHf, kcal/mol:

-6.76

Dipole, Da:

4.28

IP(EA), eV:

 -8.8(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[4-[7-[(4,4-difluorocyclohexyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-6,7-dihydro-5H-cyclohepta[b]pyridin-9-yl]pyrazol-1-yl]ethyl]morpholine

Drug info:

PubChemData

Smile

CC(C1CCC2=C(C(=C1)C3=CN=C(C=C3)OC)N=CC(=C2)/C(=C(\C)/N)/C(=O)C)C4=CC=CC=C4

DOS

IR

Vibrations