Geometry & MOs

Info

ID:	261479
PubChem CID:	103235556
Reduced:	NSO2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	-47.45
Dipole, Da:	6.21
IP(EA), eV:	-9.3(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(4-cyanoanilino)-2-ethylbut-2-enoic acid

Drug info:

PubChemData

Smile

C=C(CNCCC1=CC=CS1)C(=O)O

DOS

IR

Vibrations