Geometry & MOs

Info

ID:	126909
PubChem CID:	50983886
Reduced:	FON3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	0.28
Dipole, Da:	5.81
IP(EA), eV:	-8.76(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN(C=N2)C3=C(C(=CC=C3)F)C(=O)N

DOS

IR

Vibrations