Geometry & MOs

Info

ID:	306704
PubChem CID:	125165393
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-96.32
Dipole, Da:	8.06
IP(EA), eV:	-9.19(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-5-methyl-4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(C=C1)C(=O)N2CCN3[C@H](C2)COC3=O

DOS

IR

Vibrations