Geometry & MOs

Info

ID:	305507
PubChem CID:	124957974
Reduced:	ON3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	63.95
Dipole, Da:	1.66
IP(EA), eV:	-9.17(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(2S)-2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)[C@@H]3CCN(C3)CC4=CC=CC=C4

DOS

IR

Vibrations