Geometry & MOs

Info

ID:	200699
PubChem CID:	79429920
Reduced:	ClN3C17H24 (1)
Stoich.:	AB3C17D24 (1)
Weight, g/mol:	303.150225
ΔH_f, kcal/mol:	24.58
Dipole, Da:	6.29
IP(EA), eV:	-9.13(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

CCC(CC)N1C=CC(=N1)CC(CN)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations