Geometry & MOs

Info

ID:	381514
PubChem CID:	134972274
Reduced:	NO2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	303.110673
ΔH_f, kcal/mol:	-13.48
Dipole, Da:	2.4
IP(EA), eV:	-8.67(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-methyl-4-[(4-nitrophenyl)methoxy]hept-6-en-2-ynoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations