Geometry & MOs

Info

ID:	130552
PubChem CID:	51091208
Reduced:	N3O3C13H13 (1)
Stoich.:	A3B3C13D13 (1)
Weight, g/mol:	239.105862
ΔH_f, kcal/mol:	-0.4
Dipole, Da:	8.33
IP(EA), eV:	-9.5(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=NC=C(C=C2)[N+](=O)[O-])CO

DOS

IR

Vibrations