Geometry & MOs

Info

ID:	414664
PubChem CID:	135087623
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	295.14514
ΔH_f, kcal/mol:	-10.85
Dipole, Da:	7.58
IP(EA), eV:	-9.41(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@@H]1NC(=O)C2=CC=CC=C2)O)CC3=NOC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations