Geometry & MOs

Info

ID:	203900
PubChem CID:	79890038
Reduced:	BrON3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	257.12766
ΔH_f, kcal/mol:	43.27
Dipole, Da:	4.35
IP(EA), eV:	-8.3(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzoxazole-2,5-diamine

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)Br)C2=NC3=C(O2)C=CC(=C3)N

DOS

IR

Vibrations