Geometry & MOs

Info

ID:	218470
PubChem CID:	85089498
Reduced:	NO3C13H17 (2)
Stoich.:	AB3C13D17 (2)
Weight, g/mol:	470.220557
ΔH_f, kcal/mol:	-264.62
Dipole, Da:	9.49
IP(EA), eV:	-9.55(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[4-(3-oxopropyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(CCN1C(=O)C2=C(C1=O)C=C3C=CCCC3=C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations