Geometry & MOs

Info

ID:	213063
PubChem CID:	81062724
Reduced:	BrNSO3C12H18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-109.07
Dipole, Da:	6.18
IP(EA), eV:	-9.49(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N,2-dimethylbenzamide

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CC=C(C=C1)CBr

DOS

IR

Vibrations