Geometry & MOs

Info

ID:	355303
PubChem CID:	127288260
Reduced:	ON7C15H25 (1)
Stoich.:	AB7C15D25 (1)
Weight, g/mol:	330.216809
ΔH_f, kcal/mol:	40.67
Dipole, Da:	5.42
IP(EA), eV:	-9.13(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(4-cyclopropyl-5-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=NN3C(C)C)C

DOS

IR

Vibrations