Geometry & MOs

Info

ID:	206843
PubChem CID:	80308200
Reduced:	BrNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	169.110279
ΔH_f, kcal/mol:	-92.34
Dipole, Da:	2.56
IP(EA), eV:	-9.57(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-4-hydroxybutyl)prop-2-ynamide

Drug info:

PubChemData

Smile

CCC(CCO)CNC(=O)CC1=CC=C(C=C1)Br

DOS

IR

Vibrations