Geometry & MOs

Info

ID:	203165
PubChem CID:	79789516
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-202.41
Dipole, Da:	5.23
IP(EA), eV:	-9.05(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-butoxybenzoyl)amino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)NC(=O)COC1=CC=CC=C1OCC

DOS

IR

Vibrations