Geometry & MOs

Info

ID:	381600
PubChem CID:	134972386
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	458.100168
ΔH_f, kcal/mol:	-67.89
Dipole, Da:	3.1
IP(EA), eV:	-8.55(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13,19-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,6,10,16-tetracarboxylic acid

Drug info:

PubChemData

Smile

CC1([C@H](N(CCC1=O)C)CC2=CC=C(C=C2)OC)C

DOS

IR

Vibrations