Geometry & MOs

Info

ID:	231104
PubChem CID:	87572647
Reduced:	N2O10C25H36 (1)
Stoich.:	A2B10C25D36 (1)
Weight, g/mol:	271.099714
ΔH_f, kcal/mol:	-405.9
Dipole, Da:	4.4
IP(EA), eV:	-8.47(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

triphenylene-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)O[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)OC)O)O)O)O)CC3=CC=C(C=C3)OC(C)C

DOS

IR

Vibrations