Geometry & MOs

Info

ID:	414848
PubChem CID:	135087820
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-75.71
Dipole, Da:	6.25
IP(EA), eV:	-8.71(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C=N1)CN2CC[C@]([C@@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations