Geometry & MOs

Info

ID:	391267
PubChem CID:	135004014
Reduced:	N3O3C14H23 (1)
Stoich.:	A3B3C14D23 (1)
Weight, g/mol:	458.278072
ΔH_f, kcal/mol:	-144.57
Dipole, Da:	4.06
IP(EA), eV:	-9.05(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (Z)-2-(cyclohexylcarbamoyl)-3-[diethylamino(phenyl)methyl]but-2-enedioate

Drug info:

PubChemData

Smile

CC(C)C1CN(CC1C2=C(N(C(=O)N(C2=O)C)C)O)C

DOS

IR

Vibrations