Geometry & MOs

Info

ID:	422393
PubChem CID:	135117754
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	322.171499
ΔH_f, kcal/mol:	-8.02
Dipole, Da:	5.88
IP(EA), eV:	-8.89(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=CC=CC=C2CN(CCO)CC3=CN=CN3C

DOS

IR

Vibrations