Geometry & MOs

Info

ID:	405990
PubChem CID:	135076193
Reduced:	NSO5C17H17 (1)
Stoich.:	ABC5D17E17 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-153.59
Dipole, Da:	3.8
IP(EA), eV:	-9.5(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(dimethylcarbamoyloxy)benzoate

Drug info:

PubChemData

Smile

CCC1(COS(=O)(=O)N1C(=O)OC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations