Geometry & MOs

Info

ID:	399298
PubChem CID:	135039484
Reduced:	IO2H7C13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	2.55
Dipole, Da:	4.84
IP(EA), eV:	-9.23(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S)-1,4-dimethyl-3-phenylazetidine-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2OC=C(C3=O)I

DOS

IR

Vibrations