Geometry & MOs

Info

ID:	152976
PubChem CID:	56312080
Reduced:	BrN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-82.79
Dipole, Da:	4.0
IP(EA), eV:	-8.63(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=CC=C2Br)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations