Geometry & MOs

Info

ID:	275806
PubChem CID:	103817971
Reduced:	BrON3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	258.184447
ΔH_f, kcal/mol:	64.66
Dipole, Da:	3.72
IP(EA), eV:	-8.68(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(dimethylamino)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NCC2=C(C=CO2)Br)CN3C=CC=N3

DOS

IR

Vibrations