Geometry & MOs

Info

ID:	54780
PubChem CID:	17389255
Reduced:	BrN2O2F4H9C14 (1)
Stoich.:	AB2C2D4E9F14 (1)
Weight, g/mol:	380.148455
ΔH_f, kcal/mol:	-149.08
Dipole, Da:	2.78
IP(EA), eV:	-8.5(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C/C(=C/NNC2=C(C(=C(C(=C2F)F)Br)F)F)/C=CC1=O

DOS

IR

Vibrations