Geometry & MOs

Info

ID:	422676
PubChem CID:	135118231
Reduced:	FON3C23H26 (1)
Stoich.:	ABC3D23E26 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-29.77
Dipole, Da:	3.42
IP(EA), eV:	-9.19(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN(CC)C(=O)C2=CC=CC=C2CC3=CC(=C(C=C3)C)F

DOS

IR

Vibrations