Geometry & MOs

Info

ID:	157504
PubChem CID:	56435302
Reduced:	BrO3N4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	-6.61
Dipole, Da:	5.33
IP(EA), eV:	-9.65(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-oxo-1-phenyl-2-(4-propan-2-yloxyanilino)ethyl]butanamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=CN=C(C=C2)OC3=CC(=CC=C3)Br

DOS

IR

Vibrations