Geometry & MOs

Info

ID:	447349
PubChem CID:	135282174
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	421.177725
ΔH_f, kcal/mol:	-77.47
Dipole, Da:	5.06
IP(EA), eV:	-8.68(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-[3-(difluoromethyl)-5-(5,7-difluoroquinolin-4-yl)pyridin-2-yl]oxy-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

CC(C)CC1=C(C=CC(=C1)OC)CN2CCC2CO

DOS

IR

Vibrations