Geometry & MOs

Info

ID:	130695
PubChem CID:	51092213
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	313.204179
ΔH_f, kcal/mol:	-40.1
Dipole, Da:	4.55
IP(EA), eV:	-9.51(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CCOCC2)CNC(=O)C3=CC=NC=C3

DOS

IR

Vibrations