Geometry & MOs

Info

ID:	399431
PubChem CID:	135040229
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	2.45
Dipole, Da:	3.81
IP(EA), eV:	-9.64(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S)-2-acetyl-2-methyl-3-phenylcyclopropane-1-carbaldehyde

Drug info:

PubChemData

Smile

CCOC1C(CC(=O)N1CC2=CC=CC=C2)(C#N)C#N

DOS

IR

Vibrations