Geometry & MOs

Info

ID:	447333
PubChem CID:	135282083
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	476.219033
ΔH_f, kcal/mol:	-69.04
Dipole, Da:	2.35
IP(EA), eV:	-9.31(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(6-acetamidopyrimidin-4-yl)-2-chlorophenoxy]-2,4-dimethylpentan-2-yl]-tert-butylcarbamic acid

Drug info:

PubChemData

Smile

CC/C=C/CCCC(=O)OC1=CC=CC=C1

DOS

IR

Vibrations