Geometry & MOs

Info

ID:	126180
PubChem CID:	50954774
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-47.61
Dipole, Da:	2.76
IP(EA), eV:	-8.77(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CCNC(=O)[C@@]23CNC[C@@H]2CN(C3)C4CCCC4

DOS

IR

Vibrations