Geometry & MOs

Info

ID:	422463
PubChem CID:	135117876
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	292.195092
ΔH_f, kcal/mol:	-29.51
Dipole, Da:	5.96
IP(EA), eV:	-9.17(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)CCN2C=CC=N2

DOS

IR

Vibrations