Geometry & MOs

Info

ID:	402406
PubChem CID:	135055860
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	393.221641
ΔH_f, kcal/mol:	45.08
Dipole, Da:	1.5
IP(EA), eV:	-8.6(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC/C(=C(\C1=CC=CC=C1)/C2=CC=CC=C2OC)/C3=CN(N=C3)OCCCN(C)C

DOS

IR

Vibrations