Geometry & MOs

Info

ID:	257157
PubChem CID:	103144095
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	237.15175
ΔH_f, kcal/mol:	-96.02
Dipole, Da:	2.27
IP(EA), eV:	-9.36(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-ethylphenyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)CC1=CC=CC2=C1C=NC=C2

DOS

IR

Vibrations