Geometry & MOs

Info

ID:	218311
PubChem CID:	85089158
Reduced:	O3N5H17C26 (1)
Stoich.:	A3B5C17D26 (1)
Weight, g/mol:	447.220572
ΔH_f, kcal/mol:	75.06
Dipole, Da:	7.93
IP(EA), eV:	-9.23(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-N-[2-[[[5-piperazin-1-yl-4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]heptyl]formamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC(=CC3=CC=CC=N3)C2=O)OC4=NC(=NC=C4)NC5=CC=C(C=C5)C#N

DOS

IR

Vibrations