Geometry & MOs

Info

ID:	265652
PubChem CID:	103537004
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-83.86
Dipole, Da:	4.96
IP(EA), eV:	-9.28(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-hydroxybut-1-ynyl)pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N2CCC(C2)OC)C#CCCO

DOS

IR

Vibrations