Geometry & MOs

Info

ID:	434005
PubChem CID:	135174155
Reduced:	OCl3N3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	338.235814
ΔH_f, kcal/mol:	-2.12
Dipole, Da:	4.25
IP(EA), eV:	-8.98(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[3-[(4-butylphenyl)methoxy]phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC(=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl)Cl

DOS

IR

Vibrations