Geometry & MOs

Info

ID:	323911
PubChem CID:	126676576
Reduced:	ClF2N3O3C22H24 (1)
Stoich.:	AB2C3D3E22F24 (1)
Weight, g/mol:	241.121512
ΔH_f, kcal/mol:	-166.8
Dipole, Da:	2.36
IP(EA), eV:	-9.01(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-(pyrimidin-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1OCC2=NN(C3=C2C=CC(=N3)F)C(=O)OC(C)(C)C)F)Cl

DOS

IR

Vibrations