Geometry & MOs

Info

ID:	145779
PubChem CID:	53591835
Reduced:	SN6C15H18 (1)
Stoich.:	AB6C15D18 (1)
Weight, g/mol:	306.169191
ΔH_f, kcal/mol:	118.91
Dipole, Da:	5.15
IP(EA), eV:	-9.09(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(oxolan-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C(C)N1C=CC=N1)NCC2=CSC(=N2)C3=NC=CC=N3

DOS

IR

Vibrations