Geometry & MOs

Info

ID:	72317
PubChem CID:	48416038
Reduced:	OSN4C23H24 (1)
Stoich.:	ABC4D23E24 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	37.69
Dipole, Da:	7.72
IP(EA), eV:	-8.55(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations