Geometry & MOs

Info

ID:	422653
PubChem CID:	135118196
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	306.174356
ΔH_f, kcal/mol:	-121.26
Dipole, Da:	4.12
IP(EA), eV:	-9.59(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CCC(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations