Geometry & MOs

Info

ID:	197496
PubChem CID:	78970995
Reduced:	NOSBr2C11H15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-29.2
Dipole, Da:	3.86
IP(EA), eV:	-9.66(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-hydroxy-5-methyl-N-prop-2-ynylbenzamide

Drug info:

PubChemData

Smile

CCC(C)C(C)NC(=O)C1=CC(=C(S1)Br)Br

DOS

IR

Vibrations