Geometry & MOs

Info

ID:	434382
PubChem CID:	135174815
Reduced:	BrClON2C17H18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	364.03419
ΔH_f, kcal/mol:	26.21
Dipole, Da:	2.73
IP(EA), eV:	-9.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC=CC=C2OC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations