Geometry & MOs

Info

ID:	223486
PubChem CID:	85335112
Reduced:	Cl2O2N6C15H22 (1)
Stoich.:	A2B2C6D15E22 (1)
Weight, g/mol:	383.136887
ΔH_f, kcal/mol:	-26.85
Dipole, Da:	4.56
IP(EA), eV:	-9.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxyphenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNC2NC3C(C(=O)N2)N(NN3)CCCCO)Cl)Cl

DOS

IR

Vibrations