Geometry & MOs

Info

ID:	414588
PubChem CID:	135087547
Reduced:	FN3O3C22H30 (1)
Stoich.:	AB3C3D22E30 (1)
Weight, g/mol:	334.200491
ΔH_f, kcal/mol:	-108.46
Dipole, Da:	4.91
IP(EA), eV:	-9.08(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)N(C)CCCC2CCCC2)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations