Geometry & MOs

Info

ID:	273151
PubChem CID:	103770583
Reduced:	BrNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	306.140199
ΔH_f, kcal/mol:	-77.65
Dipole, Da:	1.27
IP(EA), eV:	-9.64(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethylsulfanyl)-N-(3-ethyl-2-hydroxypentyl)benzamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)/C=C/C1=CC=C(C=C1)Br)O

DOS

IR

Vibrations