Geometry & MOs

Info

ID:	230531
PubChem CID:	87571266
Reduced:	F3N3O3C17H30 (1)
Stoich.:	A3B3C3D17E30 (1)
Weight, g/mol:	240.034193
ΔH_f, kcal/mol:	-314.83
Dipole, Da:	3.08
IP(EA), eV:	-9.33(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chlorophenanthrene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1(CC(CC(N1O)(C)C)NC(=O)CCCCCNC(=O)C(F)(F)F)C

DOS

IR

Vibrations