Geometry & MOs

Info

ID:	245940
PubChem CID:	103030726
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	237.220498
ΔH_f, kcal/mol:	-20.59
Dipole, Da:	4.39
IP(EA), eV:	-8.98(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-methyl-1-(2-methylpyrazol-3-yl)heptan-3-amine

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(C2=C(C(=CC=C2)OC)OC)N

DOS

IR

Vibrations