Geometry & MOs

Info

ID:	30750
PubChem CID:	841796
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	250.050905
ΔH_f, kcal/mol:	-123.36
Dipole, Da:	6.33
IP(EA), eV:	-9.64(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(4-chloroanilino)-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)O

DOS

IR

Vibrations