Geometry & MOs

Info

ID:	417532
PubChem CID:	135099381
Reduced:	FO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	294.113506
ΔH_f, kcal/mol:	-104.81
Dipole, Da:	4.07
IP(EA), eV:	-9.3(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCO)C(=O)CCC2=CC=C(C=C2)F

DOS

IR

Vibrations