Geometry & MOs

Info

ID:	287922
PubChem CID:	104299121
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	348.02804
ΔH_f, kcal/mol:	-46.97
Dipole, Da:	5.4
IP(EA), eV:	-9.28(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-bromo-3-methylphenyl)-chloromethyl]-1,2,3,4-tetrahydronaphthalene

Drug info:

PubChemData

Smile

CCCN1C=CN=C1C2=C(C=C(C=C2)C(=O)O)C

DOS

IR

Vibrations