Geometry & MOs

Info

ID:	330395
PubChem CID:	127247382
Reduced:	SN4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	257.164046
ΔH_f, kcal/mol:	71.86
Dipole, Da:	2.71
IP(EA), eV:	-9.23(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CN=CS2)C3=CC=NN3

DOS

IR

Vibrations