Geometry & MOs

Info

ID:	257163
PubChem CID:	103144130
Reduced:	N3C14H17 (1)
Stoich.:	A3B14C17 (1)
Weight, g/mol:	251.1674
ΔH_f, kcal/mol:	50.87
Dipole, Da:	3.56
IP(EA), eV:	-8.98(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,4,5-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2=CC=CC3=C2CNCC3

DOS

IR

Vibrations