Geometry & MOs

Info

ID:	225151
PubChem CID:	85742021
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	442.168128
ΔH_f, kcal/mol:	-37.54
Dipole, Da:	1.19
IP(EA), eV:	-8.86(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[3-(pyren-1-ylmethoxy)propoxy]phenyl]methylidene]propanedinitrile

Drug info:

PubChemData

Smile

CC(=C)C=CC1=C(C=CC(=C1)C=CCO)O

DOS

IR

Vibrations