Geometry & MOs

Info

ID:	426520
PubChem CID:	135144579
Reduced:	NO6C17H19 (1)
Stoich.:	AB6C17D19 (1)
Weight, g/mol:	482.94953
ΔH_f, kcal/mol:	-220.66
Dipole, Da:	7.97
IP(EA), eV:	-9.32(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dibromo-4-nitro-1-propan-2-yl-N-pyrrolidin-3-ylbenzimidazol-2-amine;hydrochloride

Drug info:

PubChemData

Smile

CC1=COC2C1C=CC3=C2C=C(C(=O)O3)CC(=O)NCC(CO)O

DOS

IR

Vibrations