Geometry & MOs

Info

ID:	426521
PubChem CID:	135144648
Reduced:	ClBr2O2N5C14H18 (1)
Stoich.:	AB2C2D5E14F18 (1)
Weight, g/mol:	460.9885
ΔH_f, kcal/mol:	1.15
Dipole, Da:	9.34
IP(EA), eV:	-9.16(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dibromo-4-nitro-N-piperidin-4-yl-1-propan-2-ylbenzimidazol-2-amine

Drug info:

PubChemData

Smile

CC(C)N1C2=CC(=C(C(=C2N=C1NC3CCNC3)[N+](=O)[O-])Br)Br.Cl

DOS

IR

Vibrations