Geometry & MOs

Info

ID:	375441
PubChem CID:	131529709
Reduced:	ClNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	206.105528
ΔH_f, kcal/mol:	-16.97
Dipole, Da:	1.42
IP(EA), eV:	-9.15(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-1-amino-3-hydroxypropyl]-2-hydroxy-5-methylbenzonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=C2Cl)C(=C1)[C@@H](CO)N

DOS

IR

Vibrations