Geometry & MOs

Info

ID:	277734
PubChem CID:	103830677
Reduced:	SN2O2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	41.54
Dipole, Da:	6.25
IP(EA), eV:	-9.3(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-inden-2-ylamino)butanamide

Drug info:

PubChemData

Smile

C1C(CC2=CC=CC=C21)NCC3=CSC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations