Geometry & MOs

Info

ID:	375385
PubChem CID:	131500161
Reduced:	ON3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	210.100442
ΔH_f, kcal/mol:	19.55
Dipole, Da:	3.9
IP(EA), eV:	-9.01(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-aminopropyl]-4-methyl-6-nitrophenol

Drug info:

PubChemData

Smile

CC(C#N)NC1=NC2=C(COC2)C=C1

DOS

IR

Vibrations