Geometry & MOs

Info

ID:	328291
PubChem CID:	126700567
Reduced:	O3N5C30H35 (1)
Stoich.:	A3B5C30D35 (1)
Weight, g/mol:	469.21139
ΔH_f, kcal/mol:	-72.05
Dipole, Da:	1.62
IP(EA), eV:	-8.51(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(4-phenoxyphenyl)-1-[(1-prop-2-enoylpiperidin-4-yl)methyl]imidazo[4,5-c]pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H](C1)N2C3=C(C(=NC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)NC2=O

DOS

IR

Vibrations