Geometry & MOs

Info

ID:	168126
PubChem CID:	74926586
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	373.259009
ΔH_f, kcal/mol:	-32.85
Dipole, Da:	3.03
IP(EA), eV:	-8.59(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-2-pyrrolidin-1-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2NC(CC(=O)N2)C3=CN=C(N=C3C)N4CCOCC4

DOS

IR

Vibrations