Geometry & MOs

Info

ID:	72052
PubChem CID:	48415759
Reduced:	ON6C22H28 (1)
Stoich.:	AB6C22D28 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	35.09
Dipole, Da:	0.92
IP(EA), eV:	-9.05(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(1H-benzimidazol-2-yl)propyl-methylcarbamoyl]phenyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCC#N)C)CCC(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations