Geometry & MOs

Info

ID:	418606
PubChem CID:	135106170
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	375.141676
ΔH_f, kcal/mol:	10.79
Dipole, Da:	3.35
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN(CC2CCCO2)CC3=CC=CC=N3

DOS

IR

Vibrations