Geometry & MOs

Info

ID:	71847
PubChem CID:	48415533
Reduced:	OS2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	50.99
Dipole, Da:	8.15
IP(EA), eV:	-8.58(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(2,5-dimethylphenyl)-N-methyl-4-oxobutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations