Geometry & MOs

Info

ID:	146077
PubChem CID:	53632542
Reduced:	NO8C50H69 (1)
Stoich.:	AB8C50D69 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-372.89
Dipole, Da:	1.89
IP(EA), eV:	-8.88(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (1S)-2,2-dimethyl-3-(3-oxobutylidene)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OCC(C)(COC(=O)[C@H](C(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations