Geometry & MOs

Info

ID:	4368
PubChem CID:	11295
Reduced:	N2C23H25 (1)
Stoich.:	A2B23C25 (1)
Weight, g/mol:	329.201774
ΔH_f, kcal/mol:	85.56
Dipole, Da:	3.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.223130
Charge, e:	1

Chem-info

IUPAC name:

[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3

DOS

IR

Vibrations