Geometry & MOs

Info

ID:	306296
PubChem CID:	125003649
Reduced:	O2N7C16H23 (1)
Stoich.:	A2B7C16D23 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-9.39
Dipole, Da:	4.28
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CN(C)C1=NC=NC(=C1)N2CC[C@@](C2)(CN(C)C(=O)C3=CC=NN3)O

DOS

IR

Vibrations