Geometry & MOs

Info

ID:	275612
PubChem CID:	103816769
Reduced:	ClNO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-49.59
Dipole, Da:	4.28
IP(EA), eV:	-9.49(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations