Geometry & MOs

Info

ID:	259026
PubChem CID:	103158025
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	274.092912
ΔH_f, kcal/mol:	-54.24
Dipole, Da:	2.19
IP(EA), eV:	-9.08(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-[5-(trifluoromethyl)-1,3-benzoxazol-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)N=C(O2)CC(CN)OC)C

DOS

IR

Vibrations