Geometry & MOs

Info

ID:	293931
PubChem CID:	117417249
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-170.28
Dipole, Da:	1.68
IP(EA), eV:	-8.88(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-4-methoxy-5-(2-methylpyrrolidin-2-yl)benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C(=C1)CC2CCNCC2)O)O

DOS

IR

Vibrations