Geometry & MOs

Info

ID:	378137
PubChem CID:	134224211
Reduced:	ClN4O4H19C21 (1)
Stoich.:	AB4C4D19E21 (1)
Weight, g/mol:	407.2613
ΔH_f, kcal/mol:	-14.89
Dipole, Da:	4.33
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-ethyl-2,4,5,12-tetramethyl-6,11-dimethylidene-3,4-dihydro-1H-tetracen-2-yl)but-3-enenitrile

Drug info:

PubChemData

Smile

COC1=CC2=NC=CC(=C2C=C1CN=O)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl

DOS

IR

Vibrations