Geometry & MOs

Info

ID:	368303
PubChem CID:	127327891
Reduced:	OF2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-39.42
Dipole, Da:	1.9
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NN=CC=C2)C(=O)NC3CC3C4=C(C=CC=C4F)F

DOS

IR

Vibrations