Geometry & MOs

Info

ID:	426
PubChem CID:	2752
Reduced:	N2O7C27H28 (1)
Stoich.:	A2B7C27D28 (1)
Weight, g/mol:	492.189651
ΔH_f, kcal/mol:	-157.61
Dipole, Da:	5.63
IP(EA), eV:	-9.25(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-(2-methoxyethyl) 5-O-(3-phenylprop-2-enyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC

DOS

IR

Vibrations