Geometry & MOs

Info

ID:	213633
PubChem CID:	81064442
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-129.87
Dipole, Da:	2.93
IP(EA), eV:	-9.68(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethoxy-4-methylbenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations