Geometry & MOs

Info

ID:	32339
PubChem CID:	6436583
Reduced:	ClN3O4C28H30 (1)
Stoich.:	AB3C4D28E30 (1)
Weight, g/mol:	227.1674
ΔH_f, kcal/mol:	-116.68
Dipole, Da:	4.21
IP(EA), eV:	-8.51(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2Z)-2-benzylidenecyclohexyl]azetidine

Drug info:

PubChemData

Smile

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=N4.C(=C\C(=O)O)\C(=O)O

DOS

IR

Vibrations