Geometry & MOs

Info

ID:	28961
PubChem CID:	830879
Reduced:	ClN2O3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	282.230728
ΔH_f, kcal/mol:	-90.49
Dipole, Da:	6.16
IP(EA), eV:	-8.93(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S,4aS,8aR)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]acetohydrazide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC(=CC=C2)OC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations