Geometry & MOs

Info

ID:	447338
PubChem CID:	135282127
Reduced:	Cl2N4O4H26C27 (1)
Stoich.:	A2B4C4D26E27 (1)
Weight, g/mol:	367.187147
ΔH_f, kcal/mol:	-104.31
Dipole, Da:	7.85
IP(EA), eV:	-9.51(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[2-(difluoromethyl)pyridin-4-yl]-2-(fluoromethyl)pyridin-3-yl]oxy-2,4-dimethylpentan-2-amine

Drug info:

PubChemData

Smile

CC(CN1CCNC1=O)(C2=CC3=C(C=C2)[C@@](N(C3=O)CC4=NC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)OC)O

DOS

IR

Vibrations