Geometry & MOs

Info

ID:	398761
PubChem CID:	135035282
Reduced:	N2O5C18H26 (1)
Stoich.:	A2B5C18D26 (1)
Weight, g/mol:	289.143568
ΔH_f, kcal/mol:	-215.58
Dipole, Da:	5.28
IP(EA), eV:	-8.42(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dideuterio-13-oxa-1-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4,6,8,10,15,17,19-octaene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCN/C=C/1\C=C(C=CC1=O)CCC(=O)OC

DOS

IR

Vibrations