Geometry & MOs

Info

ID:	151488
PubChem CID:	53812515
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	352.082599
ΔH_f, kcal/mol:	-122.79
Dipole, Da:	3.54
IP(EA), eV:	-9.4(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl 4-(3-chlorophenyl)-2,6-dimethyl-3-nitro-3,4-dihydropyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCC=C1CC2=C(C1=O)C(=C(C3=C2C=C(O3)C(=O)O)C)C

DOS

IR

Vibrations