Geometry & MOs

Info

ID:	331442
PubChem CID:	127248849
Reduced:	ON2C8H8 (3)
Stoich.:	AB2C8D8 (3)
Weight, g/mol:	442.158723
ΔH_f, kcal/mol:	14.15
Dipole, Da:	7.53
IP(EA), eV:	-8.99(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(4-ethylthiadiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2)C(=O)N3CCOC(C3)C4=NC(=NC=C4C5=CN=CN=C5)N(C)C

DOS

IR

Vibrations