Geometry & MOs

Info

ID:	320361
PubChem CID:	126659785
Reduced:	N3O5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	328.182715
ΔH_f, kcal/mol:	-145.69
Dipole, Da:	3.32
IP(EA), eV:	-9.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1Z,3E)-4-ethynyl-3,5-dimethyl-2-prop-1-en-2-ylhexa-1,3,5-trienyl]-5-(4-methylphenyl)furan

Drug info:

PubChemData

Smile

C=CCN1C(=O)N(C(=O)N(C1=O)CC2COC2)C[C@@H]3CO3

DOS

IR

Vibrations