Geometry & MOs

Info

ID:	404949
PubChem CID:	135071846
Reduced:	NH11C12 (2)
Stoich.:	AB11C12 (2)
Weight, g/mol:	286.120509
ΔH_f, kcal/mol:	88.61
Dipole, Da:	0.64
IP(EA), eV:	-9.08(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(Z)-3-phenylprop-2-enyl]-2-prop-2-ynylpropanedioate

Drug info:

PubChemData

Smile

CC(C)CC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations