Geometry & MOs

Info

ID:	324135
PubChem CID:	126676997
Reduced:	NC2H3 (4)
Stoich.:	AB2C3 (4)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	37.46
Dipole, Da:	2.45
IP(EA), eV:	-8.49(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-3-anilino-2-[[(3S)-4-hydroxy-2,3-dimethylcyclopenta-1,4-dien-1-yl]carbamoyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)N)N)CC=N

DOS

IR

Vibrations