Geometry & MOs

Info

ID:	275775
PubChem CID:	103817614
Reduced:	Cl2N2O3C13H16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	229.157898
ΔH_f, kcal/mol:	-138.1
Dipole, Da:	3.22
IP(EA), eV:	-9.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1-propylpyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1(OCC(O1)CNC(=O)NC2=C(C=CC(=C2)Cl)Cl)C

DOS

IR

Vibrations