Geometry & MOs

Info

ID:	74070
PubChem CID:	48421420
Reduced:	BrON6H15C17 (1)
Stoich.:	ABC6D15E17 (1)
Weight, g/mol:	398.03784
ΔH_f, kcal/mol:	95.98
Dipole, Da:	8.75
IP(EA), eV:	-9.11(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-bromophenyl)cyclopropyl]-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea

Drug info:

PubChemData

Smile

C1CC1(C2=CC=C(C=C2)Br)NC(=O)NC3=CN=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations