Geometry & MOs

Info

ID:	445300
PubChem CID:	135265984
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	546.368225
ΔH_f, kcal/mol:	-154.61
Dipole, Da:	7.21
IP(EA), eV:	-8.63(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4R)-1-acetyl-4-[(5-cyanopyridin-2-yl)amino]-2-ethyl-3,4-dihydro-2H-quinolin-6-yl]-N-[3-(dimethylamino)propyl]-2-methylheptanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCC2=C1C=CC(=C2)C3=CC=C(C=C3)CC(=O)NC(CO)CO

DOS

IR

Vibrations