Geometry & MOs

Info

ID:	420089
PubChem CID:	135111093
Reduced:	SO3N4C16H24 (1)
Stoich.:	AB3C4D16E24 (1)
Weight, g/mol:	376.236208
ΔH_f, kcal/mol:	-112.6
Dipole, Da:	10.55
IP(EA), eV:	-9.46(-0.69)
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]-[2-(2-ethoxyethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)CCC(=O)NC3=NN=CS3)O

DOS

IR

Vibrations