Geometry & MOs

Info

ID:	283075
PubChem CID:	103956656
Reduced:	BrN2O3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-67.33
Dipole, Da:	4.34
IP(EA), eV:	-9.31(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanopropyl)-4-hydroxy-N,3-dimethylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)Br)NC(=O)C2=CC(=C(C=C2)O)O

DOS

IR

Vibrations