Geometry & MOs

Info

ID:	204732
PubChem CID:	80001830
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-12.28
Dipole, Da:	3.09
IP(EA), eV:	-8.19(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,7-dimethyl-1,3-benzoxazol-2-yl)oxolan-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)N=C(O2)COC3=CC=C(C=C3)N)C

DOS

IR

Vibrations