Geometry & MOs

Info

ID:	331785
PubChem CID:	127250069
Reduced:	ClO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	423.19582
ΔH_f, kcal/mol:	-14.8
Dipole, Da:	2.59
IP(EA), eV:	-9.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(4-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4Cl)C

DOS

IR

Vibrations