Geometry & MOs

Info

ID:	150312
PubChem CID:	53790000
Reduced:	NO2H19C22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	427.12593
ΔH_f, kcal/mol:	9.39
Dipole, Da:	4.5
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-benzyl-1-[(3-bromophenyl)methyl]pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

C1CN(C(=O)C1=CC2=CC=C(O2)C3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations