Geometry & MOs

Info

ID:	331921
PubChem CID:	127250207
Reduced:	ClO2N5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	445.161326
ΔH_f, kcal/mol:	-11.73
Dipole, Da:	6.01
IP(EA), eV:	-9.52(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethyl-1,3-oxazol-5-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CCC(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations