Geometry & MOs

Info

ID:	417218
PubChem CID:	135091729
Reduced:	O2N5C18H23 (1)
Stoich.:	A2B5C18D23 (1)
Weight, g/mol:	352.14345
ΔH_f, kcal/mol:	-26.2
Dipole, Da:	3.35
IP(EA), eV:	-9.06(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3)N(C)C

DOS

IR

Vibrations