Geometry & MOs

Info

ID:	204665
PubChem CID:	79995188
Reduced:	O2N3C10H13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-4.67
Dipole, Da:	1.56
IP(EA), eV:	-8.5(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[butyl(cyclopropyl)amino]methyl]-1,3-benzoxazol-6-amine

Drug info:

PubChemData

Smile

CN(CC1=NC2=C(C=CC=C2O1)N)OC

DOS

IR

Vibrations