Geometry & MOs

Info

ID:	283838
PubChem CID:	104011579
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	211.990804
ΔH_f, kcal/mol:	-36.08
Dipole, Da:	2.85
IP(EA), eV:	-8.8(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-amino-3-(2,3-dichlorophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)CN(CC(=O)N)C1CC(C2=CC=CC=C12)N

DOS

IR

Vibrations