Geometry & MOs

Info

ID:	420090
PubChem CID:	135111094
Reduced:	N2O4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-161.64
Dipole, Da:	4.42
IP(EA), eV:	-8.99(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[[2-(furan-2-yl)phenyl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CCOCCOC1=CC=CC=C1C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations