Geometry & MOs

Info

ID:	434387
PubChem CID:	135174820
Reduced:	NOC19H33 (1)
Stoich.:	ABC19D33 (1)
Weight, g/mol:	380.0291
ΔH_f, kcal/mol:	-39.27
Dipole, Da:	2.48
IP(EA), eV:	-8.64(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C(\C=C(/C=C)\C=C\C(C)(C)C)/OCCNC(C)(C)C

DOS

IR

Vibrations