Geometry & MOs

Info

ID:	434407
PubChem CID:	135174888
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	503.09752
ΔH_f, kcal/mol:	22.63
Dipole, Da:	8.1
IP(EA), eV:	-9.19(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[3-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]-5-prop-2-enoxyphenyl]methylamino]ethyl]azetidine-3-carboxamide

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)CNCC2CCNC2)OCC3=CC(=CN=C3)C#N

DOS

IR

Vibrations