Geometry & MOs

Info

ID:	417423
PubChem CID:	135093629
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	334.236876
ΔH_f, kcal/mol:	-85.97
Dipole, Da:	6.15
IP(EA), eV:	-9.0(0.0)
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]-3-(2-ethylimidazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NO1)C2CCCN2C(=O)CN3CCOCC3

DOS

IR

Vibrations