Geometry & MOs

Info

ID:	192133
PubChem CID:	78233114
Reduced:	SN2O3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	4.88
IP(EA), eV:	-9.26(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=O)C(=CC2C(=C1)C)CN(CC3=CC=CO3)C(=O)C4=CC=CS4

DOS

IR

Vibrations