Geometry & MOs

Info

ID:	337952
PubChem CID:	127258575
Reduced:	ClNOC5H5 (2)
Stoich.:	ABCD5E5 (2)
Weight, g/mol:	381.09396
ΔH_f, kcal/mol:	-52.44
Dipole, Da:	4.4
IP(EA), eV:	-8.74(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-bromoacetyl)-(1-phenylethenyl)amino]butyl butanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N/N=C/CCC(=O)O)Cl)Cl

DOS

IR

Vibrations