Geometry & MOs

Info

ID:	37370
PubChem CID:	8020277
Reduced:	ClNO3C19H30 (1)
Stoich.:	ABC3D19E30 (1)
Weight, g/mol:	306.065887
ΔH_f, kcal/mol:	-146.43
Dipole, Da:	3.11
IP(EA), eV:	-8.99(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-7-methyl-2-oxochromen-4-yl)methyl (1S,2S)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@H]1C)NC[C@@H](COCCOC2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations