Geometry & MOs

Info

ID:	294628
PubChem CID:	117475315
Reduced:	ClN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	294.149891
ΔH_f, kcal/mol:	-52.69
Dipole, Da:	3.51
IP(EA), eV:	-8.78(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]cyclobutyl]methanamine

Drug info:

PubChemData

Smile

CC(C)C1=C2C(=CC(=C1C3=NOC(=C3)N)Cl)OCCO2

DOS

IR

Vibrations