Geometry & MOs

Info

ID:	35978
PubChem CID:	7980591
Reduced:	NO3C23H23 (1)
Stoich.:	AB3C23D23 (1)
Weight, g/mol:	386.163043
ΔH_f, kcal/mol:	-66.06
Dipole, Da:	3.89
IP(EA), eV:	-8.49(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCOC3=CC=CC=C3C

DOS

IR

Vibrations