Geometry & MOs

Info

ID:	191395
PubChem CID:	78141996
Reduced:	N2O6C31H32 (1)
Stoich.:	A2B6C31D32 (1)
Weight, g/mol:	391.141973
ΔH_f, kcal/mol:	-135.53
Dipole, Da:	4.32
IP(EA), eV:	-9.14(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(2-carboxyphenyl)methylidene]-1-ethyl-4-oxopiperidin-3-ylidene]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CC(C3(C(C2[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5N(C3=O)C(=O)OC(C)(C)C)O

DOS

IR

Vibrations