Geometry & MOs

Info

ID:	129267
PubChem CID:	51072115
Reduced:	NSO4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	523.101565
ΔH_f, kcal/mol:	-132.06
Dipole, Da:	2.19
IP(EA), eV:	-8.77(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

anthracen-9-ylmethanol;2,4,7-trinitrofluoren-9-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)SCCC2=CC=NC=C2.C(=O)(C(=O)O)O

DOS

IR

Vibrations