Geometry & MOs

Info

ID:	196912
PubChem CID:	78895100
Reduced:	Cl2N3O3H15C19 (1)
Stoich.:	A2B3C3D15E19 (1)
Weight, g/mol:	374.106502
ΔH_f, kcal/mol:	34.35
Dipole, Da:	4.35
IP(EA), eV:	-9.62(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methyl]-1-(6-chloropyridin-3-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNCC2=CN=C(C=C2)Cl)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations