Geometry & MOs

Info

ID:	369608
PubChem CID:	127334888
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	370.211724
ΔH_f, kcal/mol:	-35.35
Dipole, Da:	5.18
IP(EA), eV:	-8.91(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(2-cyclopropylpyrimidin-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)C(=O)CC3CCC4=CC=CC=C4C3

DOS

IR

Vibrations