Geometry & MOs

Info

ID:	164183
PubChem CID:	74382224
Reduced:	ON5C25H27 (1)
Stoich.:	AB5C25D27 (1)
Weight, g/mol:	437.20386
ΔH_f, kcal/mol:	57.92
Dipole, Da:	4.05
IP(EA), eV:	-8.48(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminopyridin-3-yl)-[6-[3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanone

Drug info:

PubChemData

Smile

CC=CC1=C(N=C(C=C1)N2CCNC(C2)C3=CC=CC(=C3)C)C(=O)C4=C(N=CC=C4)N

DOS

IR

Vibrations