Geometry & MOs

Info

ID:	203851
PubChem CID:	79882047
Reduced:	SN3O3H11C13 (1)
Stoich.:	AB3C3D11E13 (1)
Weight, g/mol:	278.141913
ΔH_f, kcal/mol:	34.51
Dipole, Da:	8.22
IP(EA), eV:	-9.29(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-cyclopropylphenyl)methyl]-2-methyl-1,3-benzoxazol-5-amine

Drug info:

PubChemData

Smile

CC(C1=CSC=C1)NC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations