Geometry & MOs

Info

ID:	340260
PubChem CID:	127262271
Reduced:	O5C22H26 (1)
Stoich.:	A5B22C26 (1)
Weight, g/mol:	364.038148
ΔH_f, kcal/mol:	-157.61
Dipole, Da:	1.97
IP(EA), eV:	-8.19(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl [2,6-dichloro-4-[(1E)-4,4-dicyanobuta-1,3-dienyl]phenyl] carbonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)OC1=C(C=C(C(=C1)OC)C(C=C)C2=CC=CC=C2)OC

DOS

IR

Vibrations