Geometry & MOs

Info

ID:	440699
PubChem CID:	135231025
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	421.208945
ΔH_f, kcal/mol:	3.44
Dipole, Da:	4.59
IP(EA), eV:	-9.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propan-2-yl-N-[[3-[2-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]cyclobutyl]methyl]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C=N1)C#N)OC

DOS

IR

Vibrations