Geometry & MOs

Info

ID:	330671
PubChem CID:	127248078
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-19.89
Dipole, Da:	6.57
IP(EA), eV:	-9.1(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations