Geometry & MOs

Info

ID:	199221
PubChem CID:	79219024
Reduced:	SN2O2C15H24 (1)
Stoich.:	AB2C2D15E24 (1)
Weight, g/mol:	297.079953
ΔH_f, kcal/mol:	-98.48
Dipole, Da:	5.31
IP(EA), eV:	-8.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)CSCC(C)C)CC)CC(=O)O

DOS

IR

Vibrations