Geometry & MOs

Info

ID:	148111
PubChem CID:	53787773
Reduced:	N2O2H6C7 (1)
Stoich.:	A2B2C6D7 (1)
Weight, g/mol:	444.114435
ΔH_f, kcal/mol:	-41.63
Dipole, Da:	3.76
IP(EA), eV:	-9.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-methyl 5-O-(2-nitrooxyethyl) 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C1NC2=C(C=CC=N2)C(=O)O1

DOS

IR

Vibrations