Geometry & MOs

Info

ID:	434092
PubChem CID:	135174250
Reduced:	ON2C22H30 (1)
Stoich.:	AB2C22D30 (1)
Weight, g/mol:	338.235814
ΔH_f, kcal/mol:	2.3
Dipole, Da:	4.46
IP(EA), eV:	-8.7(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)COC2=CC=C(C=C2)CNCC3CNC3

DOS

IR

Vibrations