Geometry & MOs

Info

ID:	221515
PubChem CID:	85273804
Reduced:	N2O4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	312.157288
ΔH_f, kcal/mol:	-85.89
Dipole, Da:	10.85
IP(EA), eV:	-9.4(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-1-yl)propanoic acid

Drug info:

PubChemData

Smile

CN(C(=O)CC1=CC=CC=C1)NC=C2C=CC=C(C2=O)C(=O)O

DOS

IR

Vibrations