Geometry & MOs

Info

ID:	418457
PubChem CID:	135104919
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-74.9
Dipole, Da:	2.77
IP(EA), eV:	-9.23(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-morpholin-4-ylphenyl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CNC(=O)CN2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations