Geometry & MOs

Info

ID:	447367
PubChem CID:	135282307
Reduced:	ClON3C18H24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	363.212219
ΔH_f, kcal/mol:	-21.58
Dipole, Da:	3.31
IP(EA), eV:	-9.23(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1OC[C@@H](C)CC(C)(C)N)C2=CC(=NC=C2)Cl

DOS

IR

Vibrations