Geometry & MOs

Info

ID:	382776
PubChem CID:	134974114
Reduced:	O4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	173.120449
ΔH_f, kcal/mol:	-173.6
Dipole, Da:	5.13
IP(EA), eV:	-10.4(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methylphenyl)-2,3,4,5-tetrahydropyridine

Drug info:

PubChemData

Smile

C1C[C@H]2[C@H](C[C@@]2(C(=O)O)O)C(=O)C1

DOS

IR

Vibrations