Geometry & MOs

Info

ID:	418051
PubChem CID:	135103437
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	-89.75
Dipole, Da:	5.79
IP(EA), eV:	-9.33(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)CCC2=CC=CC=C2O)CC3=CC=NC=C3

DOS

IR

Vibrations