Geometry & MOs

Info

ID:	213634
PubChem CID:	81064444
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	357.05757
ΔH_f, kcal/mol:	-205.91
Dipole, Da:	1.79
IP(EA), eV:	-8.95(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-bromophenoxy)butanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1OC)C(=O)NCC(C)CC(=O)O)OC

DOS

IR

Vibrations