Geometry & MOs

Info

ID:	75594
PubChem CID:	48423712
Reduced:	F3N3O4C16H20 (1)
Stoich.:	A3B3C4D16E20 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-319.49
Dipole, Da:	4.02
IP(EA), eV:	-9.66(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN(CC(=O)NCC(F)(F)F)C(=O)C(CC1=CC=CC=C1)NC(=O)OC

DOS

IR

Vibrations