Geometry & MOs

Info

ID:	328322
PubChem CID:	126700699
Reduced:	O5N8C28H34 (1)
Stoich.:	A5B8C28D34 (1)
Weight, g/mol:	182.02469
ΔH_f, kcal/mol:	-117.77
Dipole, Da:	4.12
IP(EA), eV:	-8.67(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-methyl-1,3-benzoxazol-2-amine

Drug info:

PubChemData

Smile

CN(CC1=CN=C2C(=N1)C(=NC(=N2)NC(=O)OC\3CCCCC/C=C3)N)C4=CC=C(C=C4)C(=O)NCCCC(=O)O

DOS

IR

Vibrations