Geometry & MOs

Info

ID:	197552
PubChem CID:	78976835
Reduced:	ClNO4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	241.142641
ΔH_f, kcal/mol:	-43.34
Dipole, Da:	4.54
IP(EA), eV:	-9.11(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations