Geometry & MOs

Info

ID:	368094
PubChem CID:	127327470
Reduced:	N6C19H26 (1)
Stoich.:	A6B19C26 (1)
Weight, g/mol:	343.237211
ΔH_f, kcal/mol:	62.36
Dipole, Da:	4.99
IP(EA), eV:	-8.82(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-[2-[(2-cyclopropyl-6-methylpyrimidin-4-yl)amino]ethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CC(=NC=N1)N2CCCC(C2)NC3=NC(=NC(=C3)C)C4CC4

DOS

IR

Vibrations