Geometry & MOs

Info

ID:	257162
PubChem CID:	103144125
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	227.142248
ΔH_f, kcal/mol:	-36.99
Dipole, Da:	2.1
IP(EA), eV:	-8.63(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1-ethylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)C3=CC=CC4=C3CNCC4)OC1

DOS

IR

Vibrations