Geometry & MOs

Info

ID:	84310
PubChem CID:	49865679
Reduced:	ON6C30H32 (1)
Stoich.:	AB6C30D32 (1)
Weight, g/mol:	481.284161
ΔH_f, kcal/mol:	70.49
Dipole, Da:	2.44
IP(EA), eV:	-8.74(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[3-[[1-(4-methylphenyl)benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCCNC3=NC4=CC=CC=C4N3C5=CC=C(C=C5)C#N

DOS

IR

Vibrations