Geometry & MOs

Info

ID:	330674
PubChem CID:	127248081
Reduced:	SN2O2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-34.65
Dipole, Da:	5.28
IP(EA), eV:	-8.99(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxypyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)CC3(CCN(C3)C(=O)C4=CSC=C4)O

DOS

IR

Vibrations