Geometry & MOs

Info

ID:	49153
PubChem CID:	11528767
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	233.116427
ΔH_f, kcal/mol:	-74.48
Dipole, Da:	5.61
IP(EA), eV:	-9.43(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(7,8-dihydro-[1,4]dioxino[2,3-g]indazol-1-yl)propan-2-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=NOC(C2)C(=O)O

DOS

IR

Vibrations