Geometry & MOs

Info

ID:	268194
PubChem CID:	103598315
Reduced:	ClO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	363.231063
ΔH_f, kcal/mol:	-12.7
Dipole, Da:	3.18
IP(EA), eV:	-9.03(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-pyridin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CNC(=O)C=CC2=C(N(N=C2C)CC3=CC=CC=C3Cl)C)C

DOS

IR

Vibrations