Geometry & MOs

Info

ID:	80326
PubChem CID:	49834051
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	234.056885
ΔH_f, kcal/mol:	-1.26
Dipole, Da:	7.12
IP(EA), eV:	-8.48(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

calcium;butyl 4-hydroxybenzoate

Drug info:

PubChemData

Smile

C1CN(CCN1C2CC(C2)C(=O)O)C3=CC4=CC=CC=C4CN5C3=NC=C5

DOS

IR

Vibrations