Geometry & MOs

Info

ID:	72319
PubChem CID:	48416042
Reduced:	ON6C20H22 (1)
Stoich.:	AB6C20D22 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	54.93
Dipole, Da:	9.76
IP(EA), eV:	-8.93(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C=NN12)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3)C

DOS

IR

Vibrations