Geometry & MOs

Info

ID:	374037
PubChem CID:	131322805
Reduced:	ON3H7C9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	173.058912
ΔH_f, kcal/mol:	43.38
Dipole, Da:	4.32
IP(EA), eV:	-9.0(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(aminomethyl)-1,2-benzoxazole-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)O)N(C=N2)CC#N

DOS

IR

Vibrations