Geometry & MOs

Info

ID:	279745
PubChem CID:	103844976
Reduced:	O2N4C13H24 (1)
Stoich.:	A2B4C13D24 (1)
Weight, g/mol:	238.215747
ΔH_f, kcal/mol:	-81.01
Dipole, Da:	5.05
IP(EA), eV:	-9.2(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-butan-2-yl-N-[(2-ethylpyrazol-3-yl)methyl]-N'-methylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)CNCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations