Geometry & MOs

Info

ID:	439595
PubChem CID:	135229371
Reduced:	FO2N9C19H24 (1)
Stoich.:	AB2C9D19E24 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	13.47
Dipole, Da:	5.08
IP(EA), eV:	-8.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxypyrrolidin-1-yl)-1-[1-(5-pyrimidin-2-ylpyridin-2-yl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CN=C2N1N=C(N=C2NC3=CN(N=C3OC)C)N4C[C@H]([C@@H](C4)F)CNC(=O)C=C

DOS

IR

Vibrations