Geometry & MOs

Info

ID:	216427
PubChem CID:	85086222
Reduced:	NSiC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	271.047217
ΔH_f, kcal/mol:	45.83
Dipole, Da:	4.54
IP(EA), eV:	-9.07(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(3-nitroanilino)-1,3,5-triazinan-2-one

Drug info:

PubChemData

Smile

C[Si](C)(C)CC1CC2C1(C3=CC=CC=C3C=C2)C#N

DOS

IR

Vibrations