Geometry & MOs

Info

ID:	420503
PubChem CID:	135113515
Reduced:	ClON4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	320.119464
ΔH_f, kcal/mol:	-11.42
Dipole, Da:	2.1
IP(EA), eV:	-9.09(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CNC(=O)CN1CCCC1C2=NC3=C(N2)C=C(C=C3)Cl

DOS

IR

Vibrations