Geometry & MOs

Info

ID:	43153
PubChem CID:	10318938
Reduced:	FON2C26H27 (1)
Stoich.:	ABC2D26E27 (1)
Weight, g/mol:	402.241962
ΔH_f, kcal/mol:	-15.85
Dipole, Da:	4.29
IP(EA), eV:	-8.69(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[5-[2-(dimethylamino)ethoxy]-1-methyl-3-propylpyrazol-4-yl]methyl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

C[C@]12CC3=C(C=C1CCC[C@]2(CCC4=CC=CC=C4)O)N(N=C3)C5=CC=C(C=C5)F

DOS

IR

Vibrations