Geometry & MOs

Info

ID:	396263
PubChem CID:	135027885
Reduced:	N3C18H25 (1)
Stoich.:	A3B18C25 (1)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	36.72
Dipole, Da:	5.31
IP(EA), eV:	-9.51(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(2E)-4-methylpenta-2,4-dienyl]cyclopropane-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCCC1=CN(N=N1)C2CCCC3=CC=CC=C23

DOS

IR

Vibrations