Geometry & MOs

Info

ID:	247652
PubChem CID:	103072572
Reduced:	ClN3C11H18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	227.118925
ΔH_f, kcal/mol:	29.24
Dipole, Da:	4.29
IP(EA), eV:	-8.87(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-3-methylpyrazol-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C=C(C(=N1)C)Cl

DOS

IR

Vibrations