Geometry & MOs

Info

ID:	414940
PubChem CID:	135087920
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	11.99
Dipole, Da:	2.28
IP(EA), eV:	-8.75(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CCN2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations