Geometry & MOs

Info

ID:	415399
PubChem CID:	135088393
Reduced:	Cl2N3O3C22H23 (1)
Stoich.:	A2B3C3D22E23 (1)
Weight, g/mol:	369.252861
ΔH_f, kcal/mol:	-114.04
Dipole, Da:	12.0
IP(EA), eV:	-9.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=CC=CN(C3=O)CC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations