Geometry & MOs

Info

ID:	179583
PubChem CID:	76503573
Reduced:	N2O2F3C29H31 (1)
Stoich.:	A2B2C3D29E31 (1)
Weight, g/mol:	507.32094
ΔH_f, kcal/mol:	-190.75
Dipole, Da:	4.13
IP(EA), eV:	-9.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclohexyl-3-hydroxypropan-2-yl)-4-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]benzamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NC(CN3CCC(C3)O)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations