Geometry & MOs

Info

ID:	225041
PubChem CID:	85735826
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	348.172545
ΔH_f, kcal/mol:	-96.09
Dipole, Da:	2.93
IP(EA), eV:	-9.64(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;2-(3H-inden-1-yl)-2-prop-2-enyl-1,3-dihydroinden-1-ol

Drug info:

PubChemData

Smile

C=CCC(=O)CCNC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations