Geometry & MOs

Info

ID:	146186
PubChem CID:	53648850
Reduced:	O4N5C24H31 (1)
Stoich.:	A4B5C24D31 (1)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-117.77
Dipole, Da:	4.63
IP(EA), eV:	-8.58(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1CC2=C(C=C(C=C2)OCC(=O)N(CCCO)C3=CC=CC=C3)N=C1N

DOS

IR

Vibrations