Geometry & MOs

Info

ID:	343872
PubChem CID:	127267048
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	333.185255
ΔH_f, kcal/mol:	-3.31
Dipole, Da:	3.66
IP(EA), eV:	-8.22(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-(oxan-2-yloxy)propan-1-amine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CNC2=CC3=C(C=C2)OC(=C3)CO

DOS

IR

Vibrations