Geometry & MOs

Info

ID:	361344
PubChem CID:	127302539
Reduced:	SN5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	113.18
Dipole, Da:	5.83
IP(EA), eV:	-9.1(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=NN=C2SC3=NC(=NC(=C3)C)C4CC4)C

DOS

IR

Vibrations