Geometry & MOs

Info

ID:	447751
PubChem CID:	135285316
Reduced:	N2O2H12C13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	508.106896
ΔH_f, kcal/mol:	-40.03
Dipole, Da:	2.74
IP(EA), eV:	-8.91(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]imidazo[4,5-c]pyridin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=CC=CC(=C2)N3C4=C(C=CN=C4)N(C3=O)C5CCN(C5)C(=O)C=C

DOS

IR

Vibrations