Geometry & MOs

Info

ID:	72324
PubChem CID:	48416047
Reduced:	ON6C21H26 (1)
Stoich.:	AB6C21D26 (1)
Weight, g/mol:	414.205576
ΔH_f, kcal/mol:	30.48
Dipole, Da:	5.05
IP(EA), eV:	-8.76(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-3-oxopropyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3CCCN(C3)C4=NC=CN=C4

DOS

IR

Vibrations