Geometry & MOs

Info

ID:	194476
PubChem CID:	78542548
Reduced:	O3N4H20C23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	19.95
Dipole, Da:	4.55
IP(EA), eV:	-9.06(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylanilino)-2-oxo-1-phenylethyl] pentanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN(C=C2C(=O)OCC(=O)C(C#N)C(=N)C)C3=CC=CC=C3

DOS

IR

Vibrations