Geometry & MOs

Info

ID:	71793
PubChem CID:	48415414
Reduced:	ON6C23H26 (1)
Stoich.:	AB6C23D26 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	72.98
Dipole, Da:	4.14
IP(EA), eV:	-9.07(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)N(C)CCCC4=NC5=CC=CC=C5N4)C

DOS

IR

Vibrations