Geometry & MOs

Info

ID:	37835
PubChem CID:	8024979
Reduced:	N2O2C17H32 (1)
Stoich.:	A2B2C17D32 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-96.96
Dipole, Da:	2.92
IP(EA), eV:	-8.93(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-morpholin-4-yl-3-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]propan-2-ol

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CNC[C@H](CN1CCOCC1)O)/C)C

DOS

IR

Vibrations