Geometry & MOs

Info

ID:	417783
PubChem CID:	135102762
Reduced:	OF2N2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	375.22704
ΔH_f, kcal/mol:	-113.53
Dipole, Da:	4.55
IP(EA), eV:	-8.49(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C=C(C2=N1)F)F)N3CCC[C@@]4(C3)CCC[C@H]4O

DOS

IR

Vibrations