Geometry & MOs

Info

ID:	28916
PubChem CID:	830621
Reduced:	ON3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	344.116092
ΔH_f, kcal/mol:	40.95
Dipole, Da:	7.37
IP(EA), eV:	-9.18(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NN=C(C#N)C(=O)C

DOS

IR

Vibrations