Geometry & MOs

Info

ID:	147844
PubChem CID:	53787502
Reduced:	SN3O3C29H29 (1)
Stoich.:	AB3C3D29E29 (1)
Weight, g/mol:	258.055991
ΔH_f, kcal/mol:	26.21
Dipole, Da:	3.55
IP(EA), eV:	-8.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,2-benzoxazol-3-yl)-5-chlorophenyl]methanamine

Drug info:

PubChemData

Smile

CCCON=C(C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

DOS

IR

Vibrations