Geometry & MOs

Info

ID:	420913
PubChem CID:	135115032
Reduced:	FN4O4C20H25 (1)
Stoich.:	AB4C4D20E25 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-135.7
Dipole, Da:	5.3
IP(EA), eV:	-8.8(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)NCCC(=O)N2CCCC2)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations