Geometry & MOs

Info

ID:	372238
PubChem CID:	131294577
Reduced:	NSO3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	-91.38
Dipole, Da:	3.21
IP(EA), eV:	-8.49(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-amino-1-(hydroxymethyl)-2,3-dihydroindene-5-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(O1)C(=C(S2)C)C)N

DOS

IR

Vibrations