Geometry & MOs

Info

ID:	283269
PubChem CID:	103969260
Reduced:	ClN4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	307.170292
ΔH_f, kcal/mol:	39.25
Dipole, Da:	1.97
IP(EA), eV:	-8.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methyl-2-phenylpropanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC2=NC3=NC=CN=C3C=C2)CCl

DOS

IR

Vibrations