Geometry & MOs

Info

ID:	434303
PubChem CID:	135174658
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	394.04475
ΔH_f, kcal/mol:	-84.68
Dipole, Da:	5.3
IP(EA), eV:	-8.86(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[4-[(2-bromo-4-chlorophenyl)methoxy]phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

CCC(=O)C1=CC2=C(O1)C=C(C=C2)OC3CC(C3)NC(C)C

DOS

IR

Vibrations