Geometry & MOs

Info

ID:	328293
PubChem CID:	126700573
Reduced:	O4N5H21C26 (1)
Stoich.:	A4B5C21D26 (1)
Weight, g/mol:	485.169919
ΔH_f, kcal/mol:	-0.61
Dipole, Da:	7.04
IP(EA), eV:	-8.89(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CC(=O)N1CCC(C1)C(=O)N2C3=C(C(=NC=C3)N)N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5

DOS

IR

Vibrations