Geometry & MOs

Info

ID:	147477
PubChem CID:	53787133
Reduced:	P2O11H14C20 (1)
Stoich.:	A2B11C14D20 (1)
Weight, g/mol:	394.093164
ΔH_f, kcal/mol:	-504.98
Dipole, Da:	4.56
IP(EA), eV:	-9.46(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)OP(=O)(O)OP(=O)(O)O

DOS

IR

Vibrations