Geometry & MOs

Info

ID:	393533
PubChem CID:	135020906
Reduced:	ON2H12C17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	274.110613
ΔH_f, kcal/mol:	24.72
Dipole, Da:	2.16
IP(EA), eV:	-8.31(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,12-diazapentacyclo[10.7.1.02,10.03,8.016,20]icosa-1(19),2(10),3,5,7,16(20),17-heptaen-11-one

Drug info:

PubChemData

Smile

C1CN2C3=C1C=CC=C3C4=C(C2=O)NC5=CC=CC=C54

DOS

IR

Vibrations