Geometry & MOs

Info

ID:	417128
PubChem CID:	135091408
Reduced:	N4O6C27H30 (1)
Stoich.:	A4B6C27D30 (1)
Weight, g/mol:	346.119654
ΔH_f, kcal/mol:	-70.31
Dipole, Da:	5.72
IP(EA), eV:	-8.18(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C3C4=CC=C(C=C4)OCCOCCN(CC(=O)N3CCC2=C1)C(=O)C5=CNN=C5)OC

DOS

IR

Vibrations