Geometry & MOs

Info

ID:	298122
PubChem CID:	117647635
Reduced:	N4O5C44H52 (1)
Stoich.:	A4B5C44D52 (1)
Weight, g/mol:	335.149458
ΔH_f, kcal/mol:	-118.24
Dipole, Da:	5.12
IP(EA), eV:	-8.62(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-[4-(1-aminoethenylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]guanidine

Drug info:

PubChemData

Smile

CCCCOC1=CC(=CC(=C1)C2=CC(=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC(=CC(=C5)OCCCN)OCCCN)OCCCN

DOS

IR

Vibrations