Geometry & MOs

Info

ID:	188079
PubChem CID:	77666345
Reduced:	N3O7C28H37 (1)
Stoich.:	A3B7C28D37 (1)
Weight, g/mol:	550.215153
ΔH_f, kcal/mol:	-309.6
Dipole, Da:	6.7
IP(EA), eV:	-9.73(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-3-oxo-6-pyridin-4-yldiazinane-4-carboxamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=C1)CNC(=O)C(CCCNC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)O

DOS

IR

Vibrations