Geometry & MOs

Info

ID:	129278
PubChem CID:	51072157
Reduced:	SO5N6C16H30 (1)
Stoich.:	AB5C6D16E30 (1)
Weight, g/mol:	251.131014
ΔH_f, kcal/mol:	-240.47
Dipole, Da:	6.17
IP(EA), eV:	-9.18(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)imino-1-phenylbutan-1-one

Drug info:

PubChemData

Smile

C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2.C(CC(C(=O)O)N)CN=C(N)N

DOS

IR

Vibrations