Geometry & MOs

Info

ID:	426522
PubChem CID:	135144658
Reduced:	Br2O2N5C15H19 (1)
Stoich.:	A2B2C5D15E19 (1)
Weight, g/mol:	472.9885
ΔH_f, kcal/mol:	34.11
Dipole, Da:	11.13
IP(EA), eV:	-9.06(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dibromo-1-(cyclopropylmethyl)-4-nitro-N-[(3R)-piperidin-3-yl]benzimidazol-2-amine

Drug info:

PubChemData

Smile

CC(C)N1C2=CC(=C(C(=C2N=C1NC3CCNCC3)[N+](=O)[O-])Br)Br

DOS

IR

Vibrations