Geometry & MOs

Info

ID:	416923
PubChem CID:	135090794
Reduced:	SN3O5C14H23 (1)
Stoich.:	AB3C5D14E23 (1)
Weight, g/mol:	366.216809
ΔH_f, kcal/mol:	-172.56
Dipole, Da:	4.47
IP(EA), eV:	-9.65(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)CCNS(=O)(=O)C

DOS

IR

Vibrations