Geometry & MOs

Info

ID:	394054
PubChem CID:	135022247
Reduced:	ClNOH14C18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	325.0717
ΔH_f, kcal/mol:	35.97
Dipole, Da:	2.7
IP(EA), eV:	-8.85(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2E)-2-benzylidene-3-[(2-chloroacetyl)amino]butanedioate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C=C/C2=NC3=C(C=C2)C=C(C=C3)Cl

DOS

IR

Vibrations