Geometry & MOs

Info

ID:	155407
PubChem CID:	56354984
Reduced:	BrF2N2O3H17C19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	444.160912
ΔH_f, kcal/mol:	-167.31
Dipole, Da:	3.9
IP(EA), eV:	-8.88(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-2-(6-methyl-4-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)C2=C(C3=CC=CC=C3N2)Br)OC(F)F

DOS

IR

Vibrations