Geometry & MOs

Info

ID:	413530
PubChem CID:	135086479
Reduced:	NOC23H23 (1)
Stoich.:	ABC23D23 (1)
Weight, g/mol:	274.120509
ΔH_f, kcal/mol:	28.2
Dipole, Da:	1.1
IP(EA), eV:	-8.6(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-methyl-3-oxo-6-phenylmethoxyhept-4-ynoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)N=C(C)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations