Geometry & MOs

Info

ID:	71936
PubChem CID:	48415636
Reduced:	ON7C21H25 (1)
Stoich.:	AB7C21D25 (1)
Weight, g/mol:	418.146347
ΔH_f, kcal/mol:	59.25
Dipole, Da:	7.99
IP(EA), eV:	-9.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(1H-benzimidazol-2-yl)propyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC=NN12)C)CCC(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations