Geometry & MOs

Info

ID:	394653
PubChem CID:	135023407
Reduced:	ClN4O4H19C23 (1)
Stoich.:	AB4C4D19E23 (1)
Weight, g/mol:	150.104465
ΔH_f, kcal/mol:	-33.1
Dipole, Da:	7.54
IP(EA), eV:	-9.32(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,6-trimethylcyclohexa-2,4-diene-1-carbaldehyde

Drug info:

PubChemData

Smile

COC(=O)C1=C(N2C(=C(C1C3=CC=C(C=C3)Cl)C#N)NC(N2)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations