Geometry & MOs

Info

ID:	16001
PubChem CID:	457604
Reduced:	Cl2N2O3C15H16 (1)
Stoich.:	A2B2C3D15E16 (1)
Weight, g/mol:	342.053798
ΔH_f, kcal/mol:	-113.07
Dipole, Da:	9.95
IP(EA), eV:	-9.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-hydroxybenzoic acid;1-(3,5-dichlorophenyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CNCC1=CC(=CC(=C1)Cl)Cl.C1=CC(=C(C=C1N)O)C(=O)O

DOS

IR

Vibrations