Geometry & MOs

Info

ID:	374465
PubChem CID:	131329799
Reduced:	ON2C10H10 (1)
Stoich.:	AB2C10D10 (1)
Weight, g/mol:	174.079313
ΔH_f, kcal/mol:	27.95
Dipole, Da:	4.95
IP(EA), eV:	-8.5(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-hydroxyanilino)but-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC/C=C/C#N)O

DOS

IR

Vibrations