Geometry & MOs

Info

ID:	369637
PubChem CID:	127334967
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-66.8
Dipole, Da:	5.72
IP(EA), eV:	-8.2(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-hydroxycyclohexyl)oxyphenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C(=O)NC2=CC=C(C=C2)OC3CCCCC3O)C4CC4

DOS

IR

Vibrations