Geometry & MOs

Info

ID:	287903
PubChem CID:	104298181
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	285.172879
ΔH_f, kcal/mol:	-25.06
Dipole, Da:	3.0
IP(EA), eV:	-8.71(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylpyrrolidin-1-yl)-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C2CCSC2)C#CCO

DOS

IR

Vibrations