Geometry & MOs

Info

ID:	421043
PubChem CID:	135115276
Reduced:	ON6C19H24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	352.182064
ΔH_f, kcal/mol:	60.34
Dipole, Da:	5.4
IP(EA), eV:	-8.7(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC(=C2)CN(C)CC(=O)NC3=NN(C=C3)C)C

DOS

IR

Vibrations