Geometry & MOs

Info

ID:	282455
PubChem CID:	103927984
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	271.189592
ΔH_f, kcal/mol:	-180.04
Dipole, Da:	9.27
IP(EA), eV:	-9.28(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)NC(=O)N[C@@H](C(=O)O)C(C)(C)C

DOS

IR

Vibrations