Geometry & MOs

Info

ID:	64143
PubChem CID:	29196560
Reduced:	ClON2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	401.99637
ΔH_f, kcal/mol:	5.9
Dipole, Da:	2.86
IP(EA), eV:	-8.48(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-1-(2-nitrophenyl)methanimine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN2CCC(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations