Geometry & MOs

Info

ID:	318476
PubChem CID:	126651474
Reduced:	ClNO3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	174.901589
ΔH_f, kcal/mol:	-89.83
Dipole, Da:	4.96
IP(EA), eV:	-9.48(0.11)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(C[C@H](COCC2=CC=CC=C2)Cl)CC(=O)O

DOS

IR

Vibrations