Geometry & MOs

Info

ID:	447537
PubChem CID:	135283694
Reduced:	ClFO3N4C23H26 (1)
Stoich.:	ABC3D4E23F26 (1)
Weight, g/mol:	196.037173
ΔH_f, kcal/mol:	-111.14
Dipole, Da:	2.13
IP(EA), eV:	-8.59(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-formylcyclohexa-3,5-diene-1,2-dicarboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1CN(CCN1C(=O)O)C2=CN=C3N2C=C(C(=C3)C4=C(C=CC=C4F)OC)Cl

DOS

IR

Vibrations