Geometry & MOs

Info

ID:	265651
PubChem CID:	103537003
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-54.33
Dipole, Da:	6.04
IP(EA), eV:	-9.53(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1CCN(C1)C(=O)C2=CC=CC(=C2)C#CCO

DOS

IR

Vibrations