Geometry & MOs

Info

ID:	402407
PubChem CID:	135055861
Reduced:	FON3C24H28 (1)
Stoich.:	ABC3D24E28 (1)
Weight, g/mol:	393.221641
ΔH_f, kcal/mol:	39.8
Dipole, Da:	2.48
IP(EA), eV:	-8.89(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(Z)-1-(2-fluorophenyl)-1-phenylbut-1-en-2-yl]pyrazol-1-yl]oxy-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CC/C(=C(\C1=CC=CC=C1)/C2=CN(N=C2)OCCCN(C)C)/C3=CC=CC=C3F

DOS

IR

Vibrations