Geometry & MOs

Info

ID:	423164
PubChem CID:	135119038
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	346.179361
ΔH_f, kcal/mol:	-34.47
Dipole, Da:	4.39
IP(EA), eV:	-9.15(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(6-cyclopropylpyrimidin-4-yl)-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCNC(=O)C1=CN=C(C=C1)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations