Geometry & MOs

Info

ID:	299474
PubChem CID:	117683224
Reduced:	N2O3C23H24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	499.283492
ΔH_f, kcal/mol:	-74.71
Dipole, Da:	4.84
IP(EA), eV:	-8.59(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C[C@H](CNC(=O)C3=CC4=C(C=C3)C=C(C=C4)O)O

DOS

IR

Vibrations