Geometry & MOs

Info

ID:	85753
PubChem CID:	49878782
Reduced:	N3O3H19C22 (1)
Stoich.:	A3B3C19D22 (1)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	-40.96
Dipole, Da:	1.36
IP(EA), eV:	-9.02(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylphenyl)methyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)COC3=C2C=C(C=C3)C(=O)NC4=CC=CC=N4

DOS

IR

Vibrations