Geometry & MOs

Info

ID:	374415
PubChem CID:	131328779
Reduced:	NOC4H4 (2)
Stoich.:	ABC4D4 (2)
Weight, g/mol:	227.071306
ΔH_f, kcal/mol:	-29.23
Dipole, Da:	7.03
IP(EA), eV:	-8.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-amino-7-chloro-4-methoxy-2,3-dihydroinden-1-yl]methanol

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C#N)O)N

DOS

IR

Vibrations