Geometry & MOs

Info

ID:	414281
PubChem CID:	135087237
Reduced:	F3N5C17H18 (1)
Stoich.:	A3B5C17D18 (1)
Weight, g/mol:	375.215806
ΔH_f, kcal/mol:	-105.03
Dipole, Da:	5.77
IP(EA), eV:	-8.94(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)N)CN(C1)C4=NC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations