Geometry & MOs

Info

ID:	216904
PubChem CID:	85086950
Reduced:	NO3C7H11 (2)
Stoich.:	AB3C7D11 (2)
Weight, g/mol:	314.105528
ΔH_f, kcal/mol:	-256.47
Dipole, Da:	1.28
IP(EA), eV:	-10.31(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,4(9),5,7,11,13,15,17,19-nonaen-21-one

Drug info:

PubChemData

Smile

CC1(OC2C(O1)C(OC3C2OC(O3)(C)C)C(C(C#N)N)O)C

DOS

IR

Vibrations