Geometry & MOs

Info

ID:	223490
PubChem CID:	85335117
Reduced:	NCl2O3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	390.253195
ΔH_f, kcal/mol:	-159.59
Dipole, Da:	4.64
IP(EA), eV:	-9.54(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-ylmethyl)-N-(3-pyrazolidin-3-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2CCC1C(C(C2)C3=CC(=C(C=C3)Cl)Cl)CO

DOS

IR

Vibrations