Geometry & MOs

Info

ID:	328292
PubChem CID:	126700570
Reduced:	O3N5C27H27 (1)
Stoich.:	A3B5C27D27 (1)
Weight, g/mol:	467.159354
ΔH_f, kcal/mol:	-17.05
Dipole, Da:	4.51
IP(EA), eV:	-8.64(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-ynoylpyrrolidine-3-carbonyl)imidazo[4,5-c]pyridin-2-one

Drug info:

PubChemData

Smile

C=CC(=O)N1CCC(CC1)CN2C3=C(C(=NC=C3)N)N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5

DOS

IR

Vibrations