Geometry & MOs

Info

ID:	130838
PubChem CID:	51115779
Reduced:	ClO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-5.53
Dipole, Da:	5.46
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4,6-dimethylpyrimidin-2-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CC1N(CC2CCOC2)C(=O)/C=C/C3=C(N=C4N3C=CC=C4)Cl

DOS

IR

Vibrations