Geometry & MOs

Info

ID:	242398
PubChem CID:	96099931
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	17.8
Dipole, Da:	3.88
IP(EA), eV:	-9.11(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-3-amino-2-hydroxypropyl]-2-(methylaminomethyl)benzimidazol-5-ol

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)[C@H]2CCCN2C(=O)[C@@H]3C[C@@H]3C4=CN(N=C4)C

DOS

IR

Vibrations