Geometry & MOs

Info

ID:	420506
PubChem CID:	135113519
Reduced:	FN2O4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	-134.63
Dipole, Da:	3.49
IP(EA), eV:	-9.28(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(3-phenyl-1H-pyrazole-5-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C1=CCCCC1)NC2=NOC(=C2C(=O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations