Geometry & MOs

Info

ID:	225335
PubChem CID:	85756487
Reduced:	ClO2N3H12C16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	214.085461
ΔH_f, kcal/mol:	-5.64
Dipole, Da:	4.01
IP(EA), eV:	-8.93(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-azidophenyl)-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC=C(C=C2)C3=CN=CO3

DOS

IR

Vibrations