Geometry & MOs

Info

ID:	419506
PubChem CID:	135108323
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	362.200571
ΔH_f, kcal/mol:	-21.9
Dipole, Da:	5.85
IP(EA), eV:	-8.57(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)C(=O)CC4=C5C=CC=CC5=NN4

DOS

IR

Vibrations