Geometry & MOs

Info

ID:

224075

PubChem CID:

85337876

Reduced:

N5O5C31H35 (1)

Stoich.:

A5B5C31D35 (1)

Weight, g/mol:

561.342738

ΔHf, kcal/mol:

-126.43

Dipole, Da:

9.6

IP(EA), eV:

 -9.01(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[methyl(oxan-4-yl)amino]-3-[4-oxo-3-[4-(4-propan-2-yl-1,4-diazepan-1-yl)phenyl]-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrazol-5-yl]urea

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CNC(=O)C2CCCN2C(=O)C(C(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OC)C(=N)N

DOS

IR

Vibrations