Geometry & MOs

Info

ID:	414451
PubChem CID:	135087409
Reduced:	N4O7C28H32 (1)
Stoich.:	A4B7C28D32 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-236.85
Dipole, Da:	9.09
IP(EA), eV:	-9.39(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-methyl-7-quinoxalin-2-yl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C(=O)CCN5CCCC5=O

DOS

IR

Vibrations