Geometry & MOs

Info

ID:	340840
PubChem CID:	127263275
Reduced:	BNO4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	191.026855
ΔH_f, kcal/mol:	-232.96
Dipole, Da:	7.56
IP(EA), eV:	-9.78(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-3-methylphenyl)methanamine;hydrochloride

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2C)C(=O)OC

DOS

IR

Vibrations