Geometry & MOs

Info

ID:	296361
PubChem CID:	117570114
Reduced:	ClNO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-66.3
Dipole, Da:	0.96
IP(EA), eV:	-8.3(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-tert-butylanilino)butan-2-one

Drug info:

PubChemData

Smile

CC(=O)CNC1=C(C=CC(=C1)Cl)OC

DOS

IR

Vibrations