Geometry & MOs

Info

ID:	434069
PubChem CID:	135174226
Reduced:	N2O2C25H28 (1)
Stoich.:	A2B2C25D28 (1)
Weight, g/mol:	568.12407
ΔH_f, kcal/mol:	-3.73
Dipole, Da:	13.04
IP(EA), eV:	-7.94(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azetidin-3-ylmethylamino)ethyl]-3-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]-5-(2-pyridin-4-ylethoxy)benzamide

Drug info:

PubChemData

Smile

CCN1CCN(C2=C1C=C3C(=C2)OC4=CC(=O)C=CC4=C3/C(=C/C)/C=C\C)CC

DOS

IR

Vibrations