Geometry & MOs

Info

ID:	423326
PubChem CID:	135119315
Reduced:	ClN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-104.15
Dipole, Da:	3.67
IP(EA), eV:	-8.8(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)N(CCO)CC2=NC=CN2

DOS

IR

Vibrations