Geometry & MOs

Info

ID:	335681
PubChem CID:	127254543
Reduced:	N3O5C27H29 (1)
Stoich.:	A3B5C27D29 (1)
Weight, g/mol:	366.241962
ΔH_f, kcal/mol:	-146.77
Dipole, Da:	2.09
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NCCC5=CCCCC5)OC

DOS

IR

Vibrations