Geometry & MOs

Info

ID:	342208
PubChem CID:	127264985
Reduced:	NiSN6O6C19H32 (1)
Stoich.:	ABC6D6E19F32 (1)
Weight, g/mol:	333.15896
ΔH_f, kcal/mol:	-201.26
Dipole, Da:	9.94
IP(EA), eV:	-8.45(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[4-amino-6-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-1,3,5-triazin-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CN(C)C=O.CN(C)C=O.CN(C)C=O.CSC(=NN/C=C/1\C=CC=C(C1=O)C(=O)O)N.[Ni]

DOS

IR

Vibrations