Geometry & MOs

Info

ID:	247653
PubChem CID:	103072573
Reduced:	ClN3C11H18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	227.118925
ΔH_f, kcal/mol:	27.56
Dipole, Da:	4.3
IP(EA), eV:	-8.93(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-N-propylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=NN(C=C1Cl)CC(=C)CNC(C)C

DOS

IR

Vibrations