Geometry & MOs

Info

ID:	420883
PubChem CID:	135114985
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	320.209993
ΔH_f, kcal/mol:	-100.99
Dipole, Da:	5.33
IP(EA), eV:	-8.56(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)N2C[C@H]3CN([C@@H](C2)COC3)C)C

DOS

IR

Vibrations