Geometry & MOs

Info

ID:	417735
PubChem CID:	135102625
Reduced:	NO2C19H25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	-96.37
Dipole, Da:	4.4
IP(EA), eV:	-9.29(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[3-(4,5-dimethyl-1H-benzimidazol-2-yl)propylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)C(=O)C3CC4=CC=CC=C4C3)O

DOS

IR

Vibrations