Geometry & MOs

Info

ID:	420384
PubChem CID:	135112881
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	376.182064
ΔH_f, kcal/mol:	-135.3
Dipole, Da:	3.6
IP(EA), eV:	-8.95(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC[C@@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations