Geometry & MOs

Info

ID:	331394
PubChem CID:	127248801
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	412.165917
ΔH_f, kcal/mol:	-20.99
Dipole, Da:	2.81
IP(EA), eV:	-8.4(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1)C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C

DOS

IR

Vibrations