Geometry & MOs

Info

ID:	409114
PubChem CID:	135081890
Reduced:	H13C23 (2)
Stoich.:	A13B23 (2)
Weight, g/mol:	284.120115
ΔH_f, kcal/mol:	608.54
Dipole, Da:	2.85
IP(EA), eV:	-8.31(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-methoxyethenyl]chrysene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C=CC5=C4C6=CC7=C(C=CC8=C7C9=C(C=CC1=C9C2=CC=CC=C2C=C1)C=C8)C=C6C=C5

DOS

IR

Vibrations