Geometry & MOs

Info

ID:	280848
PubChem CID:	103851583
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	323.06332
ΔH_f, kcal/mol:	28.33
Dipole, Da:	4.11
IP(EA), eV:	-8.95(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenoxy)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)O)NCC2=CC=CC=C2C#N

DOS

IR

Vibrations