Geometry & MOs

Info

ID:	179346
PubChem CID:	76468969
Reduced:	ClO2N5C27H30 (1)
Stoich.:	AB2C5D27E30 (1)
Weight, g/mol:	424.171082
ΔH_f, kcal/mol:	-17.84
Dipole, Da:	3.65
IP(EA), eV:	-9.1(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-4-methylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1N2CCC(CC2)N(C)C(=O)C3=CC4=C(CCC4NC(=O)C5=CC=CC=C5Cl)C=C3

DOS

IR

Vibrations