Geometry & MOs

Info

ID:	335707
PubChem CID:	127254569
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-50.33
Dipole, Da:	5.43
IP(EA), eV:	-8.65(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)NC2=NNC(=N2)CCC3CCCC3

DOS

IR

Vibrations