Geometry & MOs

Info

ID:	275970
PubChem CID:	103819569
Reduced:	BrClNO4C19H19 (1)
Stoich.:	ABCD4E19F19 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-157.42
Dipole, Da:	4.74
IP(EA), eV:	-9.26(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxypropyl)-2,6-dimethylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NC(CCC(=O)O)CC2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations