Geometry & MOs

Info

ID:	434054
PubChem CID:	135174207
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	560.11898
ΔH_f, kcal/mol:	79.82
Dipole, Da:	5.25
IP(EA), eV:	-9.24(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-2-amino-4-oxopent-2-enoxy]-N-[2-(azetidin-3-ylmethylamino)ethyl]-5-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]benzamide

Drug info:

PubChemData

Smile

C=CCOC1=CC(=NC(=C1)/C=C/C2=NC=C(C=C2)C#N)CNCC3CCNC3

DOS

IR

Vibrations