Geometry & MOs

Info

ID:	297058
PubChem CID:	117607394
Reduced:	N4O4H16C17 (1)
Stoich.:	A4B4C16D17 (1)
Weight, g/mol:	144.057515
ΔH_f, kcal/mol:	27.66
Dipole, Da:	8.26
IP(EA), eV:	-8.86(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohepta-1,3,6-trien-1-ylprop-2-yn-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)/C(=C/N=C2C=CC(=CC2=O)[N+](=O)[O-])/NN)C

DOS

IR

Vibrations