Geometry & MOs

Info

ID:	188774
PubChem CID:	77763910
Reduced:	N3O4C26H33 (1)
Stoich.:	A3B4C26D33 (1)
Weight, g/mol:	313.0717
ΔH_f, kcal/mol:	-151.3
Dipole, Da:	2.64
IP(EA), eV:	-8.41(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(1-chloropropyl)-5-nitrocyclohexa-1,3-dien-1-yl]methylidene]-3-oxobutanoic acid

Drug info:

PubChemData

Smile

C1C(C(=O)N(C1C(C(=O)CCCC2=CC(=CC=C2)N)N)CCCC3=CC=CC=C3)CC(=O)O

DOS

IR

Vibrations