Geometry & MOs

Info

ID:	44045
PubChem CID:	10500608
Reduced:	N2O3C24H26 (1)
Stoich.:	A2B3C24D26 (1)
Weight, g/mol:	390.226705
ΔH_f, kcal/mol:	-95.67
Dipole, Da:	3.66
IP(EA), eV:	-8.79(-1.24)
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]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC1CCC2=C(C1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations