Geometry & MOs

Info

ID:	419147
PubChem CID:	135107603
Reduced:	ON5C24H29 (1)
Stoich.:	AB5C24D29 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	48.79
Dipole, Da:	5.09
IP(EA), eV:	-8.87(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=CC(=C(C=C4)OC)CN5C=CC=N5

DOS

IR

Vibrations