Geometry & MOs

Info

ID:	193849
PubChem CID:	78447863
Reduced:	BrNO4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	521.275053
ΔH_f, kcal/mol:	-119.83
Dipole, Da:	8.64
IP(EA), eV:	-8.83(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(1-amino-1-oxo-3-pyridin-3-ylpropan-2-yl)-1-N-cyclohexyl-4-N-phenylpiperazine-1,2,4-tricarboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C2C3C(=NC4=C2C(=O)CCC4)CCCC3=O)Br)O

DOS

IR

Vibrations