Geometry & MOs

Info

ID:	242431
PubChem CID:	96099967
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	252.138639
ΔH_f, kcal/mol:	6.11
Dipole, Da:	5.38
IP(EA), eV:	-8.45(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-amino-3-[5-fluoro-2-(methylaminomethyl)benzimidazol-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@@H]2CCCN2C(=O)C3=CN(C4=CC=CC=C43)C

DOS

IR

Vibrations