Geometry & MOs

Info

ID:	260321
PubChem CID:	103188531
Reduced:	ClN3C13H22 (1)
Stoich.:	AB3C13D22 (1)
Weight, g/mol:	272.176775
ΔH_f, kcal/mol:	15.54
Dipole, Da:	1.72
IP(EA), eV:	-8.43(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CC1=NC=CC(=C1)Cl)C(C)CN(C)C

DOS

IR

Vibrations