Geometry & MOs

Info

ID:	422315
PubChem CID:	135117624
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	338.164185
ΔH_f, kcal/mol:	-76.55
Dipole, Da:	6.35
IP(EA), eV:	-8.88(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-7-[(4-fluoro-2-methoxyphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

C1COC(CN1)CNC(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations