Geometry & MOs

Info

ID:	122010
PubChem CID:	50789443
Reduced:	O2N5C30H33 (1)
Stoich.:	A2B5C30D33 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	-17.6
Dipole, Da:	7.78
IP(EA), eV:	-8.24(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(2-methylpropanoylamino)phenyl]ethyl]-N-pentyl-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3=CC4=C(C=C3)N=C(N4)CCC5=CC=C(C=C5)NC(=O)C

DOS

IR

Vibrations