Geometry & MOs

Info

ID:	213646
PubChem CID:	81064480
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	270.157957
ΔH_f, kcal/mol:	-119.99
Dipole, Da:	4.19
IP(EA), eV:	-8.46(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=CC=C1)N(C)C

DOS

IR

Vibrations