Geometry & MOs

Info

ID:	416551
PubChem CID:	135089657
Reduced:	N2O2C21H32 (1)
Stoich.:	A2B2C21D32 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-100.34
Dipole, Da:	6.07
IP(EA), eV:	-8.42(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)CN(C)CC3=CC=C(C=C3)C)O

DOS

IR

Vibrations