Geometry & MOs

Info

ID:	71843
PubChem CID:	48415529
Reduced:	ClO2N3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	400.247441
ΔH_f, kcal/mol:	0.57
Dipole, Da:	2.2
IP(EA), eV:	-8.87(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[3-(1H-benzimidazol-2-yl)propyl-methylcarbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

DOS

IR

Vibrations