Geometry & MOs

Info

ID:	416932
PubChem CID:	135090812
Reduced:	ClO2N4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	308.155849
ΔH_f, kcal/mol:	-41.04
Dipole, Da:	5.0
IP(EA), eV:	-9.34(-0.43)
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]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)N(CCO)CC2=NC=CN2)Cl

DOS

IR

Vibrations