Geometry & MOs

Info

ID:	421705
PubChem CID:	135116450
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	350.184172
ΔH_f, kcal/mol:	-67.44
Dipole, Da:	2.31
IP(EA), eV:	-9.21(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CN(C)CC(=O)N2CCOCC2

DOS

IR

Vibrations