Geometry & MOs

Info

ID:	433989
PubChem CID:	135174139
Reduced:	BrClN2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	396.241293
ΔH_f, kcal/mol:	48.51
Dipole, Da:	0.92
IP(EA), eV:	-9.07(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-prop-2-enoxyphenyl]methyl]methanamine

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=CC=C(C=C2)/C=C/C3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations