Geometry & MOs

Info

ID:	333887
PubChem CID:	127252439
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	326.231791
ΔH_f, kcal/mol:	-15.78
Dipole, Da:	3.7
IP(EA), eV:	-9.42(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C(=O)N2C[C@H]3CC[C@H]([C@H]3C2)OC4=CN=CC=C4

DOS

IR

Vibrations