Geometry & MOs

Info

ID:	328295
PubChem CID:	126700577
Reduced:	O4N5H23C26 (1)
Stoich.:	A4B5C23D26 (1)
Weight, g/mol:	552.284889
ΔH_f, kcal/mol:	-0.86
Dipole, Da:	5.9
IP(EA), eV:	-8.57(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(4-phenoxyphenyl)-1-[(3R)-1-[(E)-4-piperidin-1-ylbut-2-enoyl]piperidin-3-yl]imidazo[4,5-c]pyridin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=CC=C(C=C2)N3C4=C(C=CN=C4N)N(C3=O)[C@@H]5CCN(C5)C(=O)C#C

DOS

IR

Vibrations