Geometry & MOs

Info

ID:	355304
PubChem CID:	127288261
Reduced:	ON6C17H26 (1)
Stoich.:	AB6C17D26 (1)
Weight, g/mol:	330.216809
ΔH_f, kcal/mol:	40.63
Dipole, Da:	3.2
IP(EA), eV:	-8.91(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)CC3=NN=C(N3C4CC4)C)C

DOS

IR

Vibrations