Geometry & MOs

Info

ID:	334653
PubChem CID:	127253328
Reduced:	NO2C16H16 (2)
Stoich.:	AB2C16D16 (2)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-65.91
Dipole, Da:	3.84
IP(EA), eV:	-8.24(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCC5CCN(CC5)CC6=CC=CC=C6)OC

DOS

IR

Vibrations