Geometry & MOs

Info

ID:	138238
PubChem CID:	52332552
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	370.155352
ΔH_f, kcal/mol:	-48.04
Dipole, Da:	6.57
IP(EA), eV:	-8.65(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-1-(4-fluorophenoxy)propan-2-yl]-3-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1C(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations