Geometry & MOs

Info

ID:	411351
PubChem CID:	135084174
Reduced:	ON2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	264.027725
ΔH_f, kcal/mol:	14.36
Dipole, Da:	1.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.968669
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]propan-2-one

Drug info:

PubChemData

Smile

CN(C)/C(=C/C=[N+](C)C)/C1=COC=C1

DOS

IR

Vibrations