Geometry & MOs

Info

ID:	299469
PubChem CID:	117683142
Reduced:	ON2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	-41.74
Dipole, Da:	4.98
IP(EA), eV:	-8.62(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(3-methoxypropoxy)benzamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)CC(CNC(=O)C3=CC=C(C=C3)CN4CCNCC4)O

DOS

IR

Vibrations