Geometry & MOs

Info

ID:	426209
PubChem CID:	135142673
Reduced:	O2N3C15H21 (2)
Stoich.:	A2B3C15D21 (2)
Weight, g/mol:	202.085461
ΔH_f, kcal/mol:	-130.31
Dipole, Da:	7.47
IP(EA), eV:	-8.98(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methoxymethyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaene

Drug info:

PubChemData

Smile

CCN1C2=NC(=NC=C2COC1=O)N[C@@H](C)C3=CC=C(C=C3)[C@@H](CC4CC4)N5CCN(CC5)C(=O)OC(C)(C)C

DOS

IR

Vibrations