Geometry & MOs

Info

ID:	414968
PubChem CID:	135087948
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-1.65
Dipole, Da:	4.78
IP(EA), eV:	-8.26(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-9-(1H-imidazol-5-ylmethyl)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CCN1C=CC2=C(C=CC=C21)CN3C[C@H]([C@H](C3)OC)CC4=CC(=NO4)C

DOS

IR

Vibrations