Geometry & MOs

Info

ID:	391717
PubChem CID:	135008882
Reduced:	NO2H17C21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	304.101878
ΔH_f, kcal/mol:	-12.2
Dipole, Da:	4.89
IP(EA), eV:	-8.61(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-chloro-3-(2-phenylethynyl)hept-3-en-1-ynyl]benzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=C3N2C4=CC=CC=C4C=C3)C(=O)OC

DOS

IR

Vibrations