Geometry & MOs

Info

ID:	79260
PubChem CID:	49747715
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-91.18
Dipole, Da:	4.51
IP(EA), eV:	-8.63(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)C(=O)NC2=CC(=CC=C2)N3CCCCC3=O)N(C)C

DOS

IR

Vibrations