Geometry & MOs

Info

ID:	434044
PubChem CID:	135174197
Reduced:	BrClO2N3C24H27 (1)
Stoich.:	ABC2D3E24F27 (1)
Weight, g/mol:	390.267114
ΔH_f, kcal/mol:	-2.23
Dipole, Da:	5.04
IP(EA), eV:	-9.12(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[3-[(E)-2-(4-butylphenyl)ethenyl]-5-prop-2-enoxyphenyl]methyl]methanamine

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)/C=C/C2=C(C=C(C=C2)Cl)Br)CNC(=O)CNCC3CNC3

DOS

IR

Vibrations