Geometry & MOs

Info

ID:	207211
PubChem CID:	80361876
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-59.39
Dipole, Da:	1.59
IP(EA), eV:	-8.49(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-2-ylmethyl)-1,3-benzoxazol-4-amine

Drug info:

PubChemData

Smile

CC1C(OC(C1C2=NC3=C(C=CC=C3O2)N)C)C

DOS

IR

Vibrations