Geometry & MOs

Info

ID:	378047
PubChem CID:	134224116
Reduced:	NC8H13 (2)
Stoich.:	AB8C13 (2)
Weight, g/mol:	254.079038
ΔH_f, kcal/mol:	-16.79
Dipole, Da:	0.43
IP(EA), eV:	-7.8(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[hydroxy(methoxy)methyl]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1(CCC(C2=CC(=C(C=C21)NC)NC)(C)C)C

DOS

IR

Vibrations