Geometry & MOs

Info

ID:	413152
PubChem CID:	135086096
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	260.104859
ΔH_f, kcal/mol:	-89.27
Dipole, Da:	5.63
IP(EA), eV:	-9.26(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-oxo-7-phenylmethoxyhept-4-ynoate

Drug info:

PubChemData

Smile

CN(C(=O)C(CC=C)C(=O)COCC1=CC=CC=C1)OC

DOS

IR

Vibrations