Geometry & MOs

Info

ID:	266561
PubChem CID:	103571276
Reduced:	ClON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	272.200097
ΔH_f, kcal/mol:	5.33
Dipole, Da:	4.77
IP(EA), eV:	-8.71(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-methyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CC(C3=C(O2)C=CC(=C3)Cl)NC

DOS

IR

Vibrations