Geometry & MOs

Info

ID:	414737
PubChem CID:	135087698
Reduced:	ON4C17H30 (1)
Stoich.:	AB4C17D30 (1)
Weight, g/mol:	326.156119
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	2.89
IP(EA), eV:	-8.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C=N1)CN(CCC)[C@@H]2CCCC[C@H]2O

DOS

IR

Vibrations