Geometry & MOs

Info

ID:	314705
PubChem CID:	126622776
Reduced:	ClNOC9H20 (1)
Stoich.:	ABCD9E20 (1)
Weight, g/mol:	234.115698
ΔH_f, kcal/mol:	-112.62
Dipole, Da:	1.55
IP(EA), eV:	-9.51(1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenyl-1,2,3,4-tetrahydroisoquinoline-6-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H](C(C1CCCCC1)O)N.Cl

DOS

IR

Vibrations