Geometry & MOs

Info

ID:	203945
PubChem CID:	79892843
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-15.49
Dipole, Da:	2.62
IP(EA), eV:	-8.14(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2,4,4-trimethylpentan-2-yl)-1,3-benzoxazole-2,4-diamine

Drug info:

PubChemData

Smile

CC1CCCCC1CNC2=NC3=C(C=CC=C3O2)N

DOS

IR

Vibrations