Geometry & MOs

Info

ID:	444576
PubChem CID:	135262896
Reduced:	NO5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	445.225308
ΔH_f, kcal/mol:	-154.65
Dipole, Da:	1.98
IP(EA), eV:	-9.12(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyl-4H-1,3-benzodioxin-7-yl)-N-[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1(CC1)C2=CC3=C(C=C2)NC(=O)C34OCCO4

DOS

IR

Vibrations