Geometry & MOs

Info

ID:	415037
PubChem CID:	135088023
Reduced:	O5N7C27H35 (1)
Stoich.:	A5B7C27D35 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-114.03
Dipole, Da:	8.19
IP(EA), eV:	-9.39(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)CC4=C(ON=C4C)C

DOS

IR

Vibrations