Geometry & MOs

Info

ID:	421447
PubChem CID:	135116024
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-65.18
Dipole, Da:	2.54
IP(EA), eV:	-8.63(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCCN2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations