Geometry & MOs

Info

ID:	418236
PubChem CID:	135103926
Reduced:	OSN3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-20.5
Dipole, Da:	4.8
IP(EA), eV:	-8.59(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=N1)C(=O)CSCCN2CCCC2

DOS

IR

Vibrations