Geometry & MOs

Info

ID:	179347
PubChem CID:	76469255
Reduced:	F2O2N4H22C23 (1)
Stoich.:	A2B2C4D22E23 (1)
Weight, g/mol:	392.164854
ΔH_f, kcal/mol:	-72.02
Dipole, Da:	4.93
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoropyridin-2-yl)-2-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1F)NC(=O)C2CC2(COC3=CN=C(N=C3C)C)C4=CC(=CC=C4)F

DOS

IR

Vibrations