Geometry & MOs

Info

ID:	147202
PubChem CID:	53786856
Reduced:	NH9C11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	390.142701
ΔH_f, kcal/mol:	78.6
Dipole, Da:	3.12
IP(EA), eV:	-8.02(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-methyl 3-O-propan-2-yl 6-formyl-2-methyl-4-(2-nitrophenyl)-2,3,4,5-tetrahydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=CC=CC=C12)C3NC4=CC=CC5=C4C(=CC=C5)N3

DOS

IR

Vibrations