Geometry & MOs

Info

ID:	176999
PubChem CID:	76123807
Reduced:	NOC24H33 (1)
Stoich.:	ABC24D33 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-17.16
Dipole, Da:	6.26
IP(EA), eV:	-8.48(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1H-inden-5-ylperoxymethyl)-N-(4-methylpentan-2-yl)oxirane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C)C(=C2C=C(C(=O)C(=C2C)C(C)(C)C)C(C)(C)C)N=C1C)C

DOS

IR

Vibrations