Geometry & MOs

Info

ID:	328294
PubChem CID:	126700575
Reduced:	N5O5H23C26 (1)
Stoich.:	A5B5C23D26 (1)
Weight, g/mol:	469.175004
ΔH_f, kcal/mol:	-69.11
Dipole, Da:	4.34
IP(EA), eV:	-8.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CC(=O)N1CC[C@H](C1)N2C3=C(C(=NC=C3)N)N(C2=O)C4=CC=C(C=C4)OC5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations