Geometry & MOs

Info

ID:	224645
PubChem CID:	85345564
Reduced:	NO5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	306.16198
ΔH_f, kcal/mol:	-113.2
Dipole, Da:	4.22
IP(EA), eV:	-8.92(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-benzylidene-4-phenylbut-3-enoate

Drug info:

PubChemData

Smile

CCOC12CCCCC1C3=C(C=CC(=C3C=C2[N+](=O)[O-])O)O

DOS

IR

Vibrations