Geometry & MOs

Info

ID:	415358
PubChem CID:	135088352
Reduced:	NOC4H5 (4)
Stoich.:	ABC4D5 (4)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-136.37
Dipole, Da:	7.18
IP(EA), eV:	-9.84(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC(=O)N(C1=O)CC(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations