Geometry & MOs

Info

ID:	392355
PubChem CID:	135014692
Reduced:	ClO2C19H19 (1)
Stoich.:	AB2C19D19 (1)
Weight, g/mol:	129.115364
ΔH_f, kcal/mol:	-55.91
Dipole, Da:	1.51
IP(EA), eV:	-8.89(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3,4-trimethylazetidin-2-yl)methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C/C(=C\C2=CC=C(C=C2)Cl)/C(=O)OC

DOS

IR

Vibrations