Geometry & MOs

Info

ID:	227355
PubChem CID:	87561454
Reduced:	N2O3C9H20 (1)
Stoich.:	A2B3C9D20 (1)
Weight, g/mol:	306.044757
ΔH_f, kcal/mol:	-134.77
Dipole, Da:	2.91
IP(EA), eV:	-8.89(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chlorochrysene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCNC(C)ONC(=O)OC(C)(C)C

DOS

IR

Vibrations