Geometry & MOs

Info

ID:	319453
PubChem CID:	126656083
Reduced:	O3C8H8 (2)
Stoich.:	A3B8C8 (2)
Weight, g/mol:	300.162649
ΔH_f, kcal/mol:	-154.94
Dipole, Da:	7.01
IP(EA), eV:	-8.95(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethylphenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline

Drug info:

PubChemData

Smile

CC1C2=C(CC(O1)CC(=O)O)C(=O)C3C=CC=C(C3C2=O)O

DOS

IR

Vibrations