Geometry & MOs

Info

ID:	370761
PubChem CID:	127340128
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	43.42
Dipole, Da:	4.89
IP(EA), eV:	-9.01(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-(4-pyrrolidin-1-ylazepan-1-yl)ethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCC(CC3)CN4C=CC=N4)NN=C2

DOS

IR

Vibrations