Geometry & MOs

Info

ID:	343885
PubChem CID:	127267061
Reduced:	O2F3N3C13H16 (1)
Stoich.:	A2B3C3D13E16 (1)
Weight, g/mol:	331.150761
ΔH_f, kcal/mol:	-241.29
Dipole, Da:	3.14
IP(EA), eV:	-10.25(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CC(=O)N1CC(=O)NC2CCCC2)C(F)(F)F

DOS

IR

Vibrations