Geometry & MOs

Info

ID:	332932
PubChem CID:	127251356
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	7.87
Dipole, Da:	5.6
IP(EA), eV:	-8.75(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methyl-4-pyrimidin-5-ylpyridin-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=CC=CC=N3)C4=CN=C(C=C4)N

DOS

IR

Vibrations