Geometry & MOs

Info

ID:	422845
PubChem CID:	135118506
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-7.25
Dipole, Da:	3.02
IP(EA), eV:	-8.65(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)N2CCOC(C2)C3=CC=CC=C3)C4=NC=CC=N4

DOS

IR

Vibrations