Geometry & MOs

Info

ID:	447129
PubChem CID:	135280536
Reduced:	O4N6C37H46 (1)
Stoich.:	A4B6C37D46 (1)
Weight, g/mol:	397.179027
ΔH_f, kcal/mol:	-119.24
Dipole, Da:	9.42
IP(EA), eV:	-8.78(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-(3-hydroxynaphthalen-1-yl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCN(C1CCN(C1)C(=O)C=C)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)C(=O)N5CCN(CC5)C

DOS

IR

Vibrations