Geometry & MOs

Info

ID:	330670
PubChem CID:	127248077
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-30.65
Dipole, Da:	6.2
IP(EA), eV:	-9.06(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxypyrrolidin-1-yl]-pyrimidin-5-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations