Geometry & MOs

Info

ID:	363112
PubChem CID:	127310145
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	361.21139
ΔH_f, kcal/mol:	-62.58
Dipole, Da:	3.89
IP(EA), eV:	-9.1(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3CCCN3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations