Geometry & MOs

Info

ID:	72316
PubChem CID:	48416037
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	404.167083
ΔH_f, kcal/mol:	-60.67
Dipole, Da:	4.77
IP(EA), eV:	-8.91(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-benzyl-N,4-dimethyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCNC(=O)C3=COC=C3

DOS

IR

Vibrations