Geometry & MOs

Info

ID:	277676
PubChem CID:	103830325
Reduced:	BrNSO2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	323.05209
ΔH_f, kcal/mol:	-33.96
Dipole, Da:	3.17
IP(EA), eV:	-9.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCNC(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations