Geometry & MOs

Info

ID:	43744
PubChem CID:	10321728
Reduced:	O8C25H26 (1)
Stoich.:	A8B25C26 (1)
Weight, g/mol:	454.185235
ΔH_f, kcal/mol:	-277.09
Dipole, Da:	8.24
IP(EA), eV:	-8.81(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2,6-dimethyl-4-[3-[(4-nitrophenyl)methyl]imidazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=C2C=C(OC2=C(C=C1CCCOC(=O)C)OC)C3=CC(=C(C=C3)OC(=O)C)OC

DOS

IR

Vibrations