Geometry & MOs

Info

ID:	223972
PubChem CID:	85336414
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	407.206973
ΔH_f, kcal/mol:	-28.68
Dipole, Da:	2.43
IP(EA), eV:	-8.79(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(7-methoxy-1H-benzimidazol-4-yl)piperazin-1-yl]-6-pyridin-4-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NC2C(CNN2)C3CC(C3)(C4=CC=CC=C4C#N)O

DOS

IR

Vibrations