Geometry & MOs

Info

ID:	51224
PubChem CID:	12013864
Reduced:	N3O3H31C33 (1)
Stoich.:	A3B3C31D33 (1)
Weight, g/mol:	284.094963
ΔH_f, kcal/mol:	5.68
Dipole, Da:	7.25
IP(EA), eV:	-8.5(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4,6-diazapentacyclo[10.7.1.03,7.08,20.014,19]icosa-1,3(7),5,8(20),9,11,14,16,18-nonaen-13-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)C)N=C2N4CCN(CC4)C(=O)C5=CC=CO5)C6=CC=CC=C6

DOS

IR

Vibrations