Geometry & MOs

Info

ID:	187614
PubChem CID:	77598059
Reduced:	NO4C7H13 (1)
Stoich.:	AB4C7D13 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-189.62
Dipole, Da:	4.5
IP(EA), eV:	-10.26(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(4-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(OCC1NC(=O)O)CO

DOS

IR

Vibrations