Geometry & MOs

Info

ID:	213454
PubChem CID:	81063788
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-184.54
Dipole, Da:	9.58
IP(EA), eV:	-9.52(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C(C)C)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations