Geometry & MOs

Info

ID:	192096
PubChem CID:	78227784
Reduced:	N2O4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	386.220557
ΔH_f, kcal/mol:	-58.57
Dipole, Da:	2.94
IP(EA), eV:	-8.61(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-methoxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-phenyloxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC2C=C3C=CC=C(C3=NC2=O)C)C(=O)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations