Geometry & MOs

Info

ID:	70121
PubChem CID:	47207919
Reduced:	N3O5H11C12 (1)
Stoich.:	A3B5C11D12 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-186.61
Dipole, Da:	7.7
IP(EA), eV:	-9.82(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-ynyl 4-[(2-methylcyclopropanecarbonyl)amino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CC(=O)OCC(=O)N

DOS

IR

Vibrations