Geometry & MOs

Info

ID:	330644
PubChem CID:	127248051
Reduced:	N3O4C16H23 (1)
Stoich.:	A3B4C16D23 (1)
Weight, g/mol:	322.164105
ΔH_f, kcal/mol:	-155.75
Dipole, Da:	3.51
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2CCC(C2)(CN3CCOCC3)O

DOS

IR

Vibrations