Geometry & MOs

Info

ID:	208513
PubChem CID:	80539293
Reduced:	NO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-139.22
Dipole, Da:	3.31
IP(EA), eV:	-10.11(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CCNC(=O)CC1CC1)C(=O)O

DOS

IR

Vibrations