Geometry & MOs

Info

ID:	247572
PubChem CID:	103072277
Reduced:	BrN3C12H20 (1)
Stoich.:	AB3C12D20 (1)
Weight, g/mol:	285.08406
ΔH_f, kcal/mol:	29.01
Dipole, Da:	1.21
IP(EA), eV:	-9.02(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C(=C(C(=N1)C)Br)C

DOS

IR

Vibrations