Geometry & MOs

Info

ID:	242275
PubChem CID:	96099807
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	-67.69
Dipole, Da:	6.06
IP(EA), eV:	-9.48(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylaminomethyl)-1-[(3S)-pyrrolidin-3-yl]benzimidazol-5-amine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H]1C2=NOC(=N2)C(C)C)OCC3CC3

DOS

IR

Vibrations