Geometry & MOs

Info

ID:	324403
PubChem CID:	126677597
Reduced:	NSO2C20H37 (1)
Stoich.:	ABC2D20E37 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-143.11
Dipole, Da:	2.27
IP(EA), eV:	-9.06(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-yl]oxyethanol

Drug info:

PubChemData

Smile

CCCC[C@@H](C)CCCCC(C(=O)C)NC(=O)CC/C=C/CCS

DOS

IR

Vibrations