Geometry & MOs

Info

ID:	65454
PubChem CID:	38671682
Reduced:	O2N3F5H8C15 (1)
Stoich.:	A2B3C5D8E15 (1)
Weight, g/mol:	295.132077
ΔH_f, kcal/mol:	-210.57
Dipole, Da:	5.94
IP(EA), eV:	-10.35(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1CC1N2C=C(C(=O)N(C2=O)CC3=C(C(=C(C(=C3F)F)F)F)F)C#N

DOS

IR

Vibrations