Geometry & MOs

Info

ID:	420319
PubChem CID:	135112446
Reduced:	ON2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-87.08
Dipole, Da:	4.61
IP(EA), eV:	-9.45(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)N(CCO)CC1=NC=CN1)N

DOS

IR

Vibrations