Geometry & MOs

Info

ID:	227407
PubChem CID:	87561701
Reduced:	N2S3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	290.049843
ΔH_f, kcal/mol:	17.45
Dipole, Da:	3.87
IP(EA), eV:	-8.1(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chlorochrysene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1NC(S2)(S)SN)C3CCCCC3

DOS

IR

Vibrations