Geometry & MOs

Info

ID:	414335
PubChem CID:	135087291
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-13.13
Dipole, Da:	3.13
IP(EA), eV:	-9.35(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-1-methyl-7-(3-methylpyridin-2-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)CCCC2=CNN=C2)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations