Geometry & MOs

Info

ID:	442811
PubChem CID:	135256359
Reduced:	ON4C9H10 (2)
Stoich.:	AB4C9D10 (2)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	79.63
Dipole, Da:	2.02
IP(EA), eV:	-8.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-amino-10-methyl-5-(methylamino)-8,16-diazatetracyclo[13.7.1.02,7.017,22]tricosa-1(23),2(7),3,5,15,17,19,21-octaen-9-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=N1)CN=C/C(=N\N)/C2=NC(=NC(=C2)C3=NC=CO3)N)OC

DOS

IR

Vibrations