Geometry & MOs

Info

ID:	415211
PubChem CID:	135088203
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	378.161329
ΔH_f, kcal/mol:	-68.78
Dipole, Da:	5.22
IP(EA), eV:	-9.22(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)C(=O)N3CCCC4(C3)CCN(C4)C(=O)CCCC5=CN(CCO2)N=N5

DOS

IR

Vibrations