Geometry & MOs

Info

ID:	420032
PubChem CID:	135110822
Reduced:	N4O5C15H20 (1)
Stoich.:	A4B5C15D20 (1)
Weight, g/mol:	350.164185
ΔH_f, kcal/mol:	-172.44
Dipole, Da:	4.11
IP(EA), eV:	-9.34(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O)C(=O)O

DOS

IR

Vibrations