Geometry & MOs

Info

ID:	335852
PubChem CID:	127254714
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	350.210661
ΔH_f, kcal/mol:	-47.07
Dipole, Da:	6.65
IP(EA), eV:	-8.51(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylimidazol-2-yl)-phenylmethyl]-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1CNC(=O)C3=CC(=O)C(=CN3)OC

DOS

IR

Vibrations