Geometry & MOs

Info

ID:	358691
PubChem CID:	127296481
Reduced:	N3C13H17 (1)
Stoich.:	A3B13C17 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	37.89
Dipole, Da:	3.67
IP(EA), eV:	-8.81(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C2=NC=NC3=C2CCC3

DOS

IR

Vibrations