Geometry & MOs

Info

ID:	380096
PubChem CID:	134964962
Reduced:	NC9H18 (1)
Stoich.:	AB9C18 (1)
Weight, g/mol:	264.11503
ΔH_f, kcal/mol:	11.71
Dipole, Da:	0.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751326
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-4,5-diphenylpenta-2,4-dienoate

Drug info:

PubChemData

Smile

CCC1C[NH+]2CCC1CC2

DOS

IR

Vibrations