Geometry & MOs

Info

ID:	367062
PubChem CID:	127323047
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	-49.49
Dipole, Da:	1.12
IP(EA), eV:	-8.56(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(C(CO1)C)C2=NC3=C(O2)C=CC(=C3)C

DOS

IR

Vibrations