Geometry & MOs

Info

ID:	360218
PubChem CID:	127300861
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	374.243024
ΔH_f, kcal/mol:	15.33
Dipole, Da:	6.01
IP(EA), eV:	-8.8(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=CN=C4C=CC=CN4C3=O

DOS

IR

Vibrations