Geometry & MOs

Info

ID:	309290
PubChem CID:	126542648
Reduced:	NF2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	512.185815
ΔH_f, kcal/mol:	-130.99
Dipole, Da:	3.03
IP(EA), eV:	-8.92(2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dichlorophenyl)-4-[4-[2-(3-methylbutylamino)pyrimidin-4-yl]phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(CN1C(C)C)(F)F

DOS

IR

Vibrations