Geometry & MOs

Info

ID:	388676
PubChem CID:	134989848
Reduced:	NCl2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	310.832122
ΔH_f, kcal/mol:	21.3
Dipole, Da:	4.54
IP(EA), eV:	-9.0(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,4-trichloro-6-(dichloromethyl)-1,3-diaza-2lambda5-phosphacyclohexa-1,3,5-triene-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=C(N=C2Cl)Cl)C

DOS

IR

Vibrations