Geometry & MOs

Info

ID:	49457
PubChem CID:	11533048
Reduced:	OF3N7C23H30 (1)
Stoich.:	AB3C7D23E30 (1)
Weight, g/mol:	477.216475
ΔH_f, kcal/mol:	-116.17
Dipole, Da:	6.34
IP(EA), eV:	-8.23(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(6-cyclobutyloxypyridin-3-yl)methyl]pyrrolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1N=C(N=C2NC3=CC=C(C=C3)C)N4CCN[C@@H](C4)C)CCOCC(F)(F)F

DOS

IR

Vibrations