Geometry & MOs

Info

ID:	290355
PubChem CID:	104433196
Reduced:	N2C17H30 (1)
Stoich.:	A2B17C30 (1)
Weight, g/mol:	238.215747
ΔH_f, kcal/mol:	-2.08
Dipole, Da:	1.46
IP(EA), eV:	-8.62(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1,3-diamine

Drug info:

PubChemData

Smile

CCC(C)C(CNCCCN(C)C)C1=CC=CC=C1

DOS

IR

Vibrations