Geometry & MOs

Info

ID:	71795
PubChem CID:	48415421
Reduced:	ON6C23H28 (1)
Stoich.:	AB6C23D28 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	41.09
Dipole, Da:	5.42
IP(EA), eV:	-8.88(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)N(C)CCCC3=NC4=CC=CC=C4N3)C

DOS

IR

Vibrations