Geometry & MOs

Info

ID:	444076
PubChem CID:	135261281
Reduced:	N2O2Cl3H17C23 (1)
Stoich.:	A2B2C3D17E23 (1)
Weight, g/mol:	271.988611
ΔH_f, kcal/mol:	-34.85
Dipole, Da:	1.76
IP(EA), eV:	-8.4(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-acetyl-3-amino-4,4,4-trichloro-N,N-dimethylbut-2-enamide

Drug info:

PubChemData

Smile

CC(=O)/C(=C(\C(Cl)(Cl)Cl)/N)/C(=O)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

DOS

IR

Vibrations