Geometry & MOs

Info

ID:	331436
PubChem CID:	127248843
Reduced:	FO3N5C22H24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	437.206304
ΔH_f, kcal/mol:	-44.46
Dipole, Da:	3.85
IP(EA), eV:	-8.88(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C

DOS

IR

Vibrations