Geometry & MOs

Info

ID:	281054
PubChem CID:	103852627
Reduced:	BrNOH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	257.162708
ΔH_f, kcal/mol:	-3.62
Dipole, Da:	5.34
IP(EA), eV:	-8.55(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-but-3-enoxyethylamino)-3,3-dimethyl-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCCC3=CC=CC=C32)Br

DOS

IR

Vibrations