Geometry & MOs

Info

ID:	39947
PubChem CID:	8143245
Reduced:	FO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	395.145619
ΔH_f, kcal/mol:	-97.77
Dipole, Da:	5.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755124
Charge, e:	0

Chem-info

IUPAC name:

1-(9-ethylcarbazol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine

Drug info:

PubChemData

Smile

COCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NCCC3=CC=CC=C3F

DOS

IR

Vibrations