Geometry & MOs

Info

ID:	322333
PubChem CID:	126669785
Reduced:	ClO2N6C23H33 (1)
Stoich.:	AB2C6D23E33 (1)
Weight, g/mol:	195.045092
ΔH_f, kcal/mol:	-42.44
Dipole, Da:	2.27
IP(EA), eV:	-8.43(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-1-iminobutan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1(CCC(N(C1)C2CCN(CC2)C3=NNC(=N3)N)CC4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations