Geometry & MOs

Info

ID:	242418
PubChem CID:	96099954
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	270.129217
ΔH_f, kcal/mol:	-9.81
Dipole, Da:	4.94
IP(EA), eV:	-8.94(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-amino-3-[6,7-difluoro-2-(methylaminomethyl)benzimidazol-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@@H]2CCCN2C(=O)CC/C=C/C3=CC=CC=C3

DOS

IR

Vibrations