Geometry & MOs

Info

ID:	447371
PubChem CID:	135282359
Reduced:	BrFN2O3C14H20 (1)
Stoich.:	ABC2D3E14F20 (1)
Weight, g/mol:	431.122354
ΔH_f, kcal/mol:	-176.67
Dipole, Da:	6.95
IP(EA), eV:	-9.28(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(2-chloropyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(N=C(C=C1)Br)CF)NC(=O)O

DOS

IR

Vibrations