Geometry & MOs

Info

ID:	417047
PubChem CID:	135091218
Reduced:	N3O5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	372.129692
ΔH_f, kcal/mol:	-210.95
Dipole, Da:	9.47
IP(EA), eV:	-9.29(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-[4-(trifluoromethyl)benzoyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=CC=CC(=O)N3)NC(=O)C4CCC4

DOS

IR

Vibrations