Geometry & MOs

Info

ID:	255237
PubChem CID:	103130829
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	16.25
Dipole, Da:	3.7
IP(EA), eV:	-9.1(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2(CCOCC2)C3=CC=CC=C3)N

DOS

IR

Vibrations