Geometry & MOs

Info

ID:	177608
PubChem CID:	76203827
Reduced:	N2O5C11H16 (1)
Stoich.:	A2B5C11D16 (1)
Weight, g/mol:	279.066221
ΔH_f, kcal/mol:	-213.73
Dipole, Da:	4.95
IP(EA), eV:	-10.34(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-chlorophenyl)prop-2-enoyl-cyclopropylamino]acetic acid

Drug info:

PubChemData

Smile

C1CC1N(CC(=O)O)C(=O)C2CC(NC(=O)C2)O

DOS

IR

Vibrations