Geometry & MOs

Info

ID:	334345
PubChem CID:	127252897
Reduced:	N2O7C21H22 (1)
Stoich.:	A2B7C21D22 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-225.51
Dipole, Da:	3.21
IP(EA), eV:	-8.36(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylamino]-4-oxobutyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)O)OCO3)CNC(=O)COC4=CC=C(C=C4)OC

DOS

IR

Vibrations