Geometry & MOs

Info

ID:	391351
PubChem CID:	135004457
Reduced:	N2O5C45H48 (1)
Stoich.:	A2B5C45D48 (1)
Weight, g/mol:	390.157957
ΔH_f, kcal/mol:	-60.98
Dipole, Da:	7.74
IP(EA), eV:	-9.2(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-anilino-1-(4-methoxyphenyl)-4-(4-nitrophenyl)butan-2-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N[C@H](CC2C(C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C#N

DOS

IR

Vibrations