Geometry & MOs

Info

ID:	299093
PubChem CID:	117671180
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	346.179361
ΔH_f, kcal/mol:	-15.57
Dipole, Da:	2.21
IP(EA), eV:	-8.85(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-2-phenoxybenzonitrile

Drug info:

PubChemData

Smile

CN(CCN)CC1=CCN=C1C2=CC=C(C=C2)OCCOC

DOS

IR

Vibrations