Geometry & MOs

Info

ID:	253404
PubChem CID:	103118198
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	214.085461
ΔH_f, kcal/mol:	-11.68
Dipole, Da:	3.87
IP(EA), eV:	-9.48(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrazol-3-yl)-1,3-benzoxazol-6-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=C(N=N2)C(=O)OC)CCN

DOS

IR

Vibrations