Geometry & MOs

Info

ID:	35197
PubChem CID:	7979467
Reduced:	N3O5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	387.179421
ΔH_f, kcal/mol:	-128.22
Dipole, Da:	4.17
IP(EA), eV:	-9.32(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoyl]-4-ethoxybenzohydrazide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NNC(=O)CNC(=O)C2=CC=CO2

DOS

IR

Vibrations