Geometry & MOs

Info

ID:	397639
PubChem CID:	135030501
Reduced:	BO4C22H35 (1)
Stoich.:	AB4C22D35 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-248.21
Dipole, Da:	4.66
IP(EA), eV:	-8.58(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-methyl-4-nitroanilino)-1-phenylpropan-1-one

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C=C/C=C(\C)/C=C=C2[C@](C[C@H](CC2(C)C)O)(C)O

DOS

IR

Vibrations