Geometry & MOs

Info

ID:	73590
PubChem CID:	48418394
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-23.17
Dipole, Da:	2.29
IP(EA), eV:	-8.09(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

DOS

IR

Vibrations