Geometry & MOs

Info

ID:	208171
PubChem CID:	80502051
Reduced:	Br2O2N3H9C12 (1)
Stoich.:	A2B2C3D9E12 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-11.8
Dipole, Da:	6.34
IP(EA), eV:	-9.36(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl(pyridin-2-ylmethyl)amino]-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Br)C(=O)NC2=CN=C(C=N2)Br

DOS

IR

Vibrations