Geometry & MOs

Info

ID:	199209
PubChem CID:	79217492
Reduced:	OSN3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	271.027917
ΔH_f, kcal/mol:	6.65
Dipole, Da:	2.79
IP(EA), eV:	-8.81(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-2-(2,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1C(=O)N2CC(C2)N3CCNCC3

DOS

IR

Vibrations