Geometry & MOs

Info

ID:	247571
PubChem CID:	103072273
Reduced:	ClN3C12H18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	285.08406
ΔH_f, kcal/mol:	47.56
Dipole, Da:	4.11
IP(EA), eV:	-8.87(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=C)CNC2CC2)C)Cl

DOS

IR

Vibrations