Geometry & MOs

Info

ID:	312739
PubChem CID:	126607683
Reduced:	FON9C24H24 (1)
Stoich.:	ABC9D24E24 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	95.73
Dipole, Da:	7.64
IP(EA), eV:	-8.85(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-amino-8,14-dioxa-1,16,19-triazatetracyclo[13.5.2.13,7.018,21]tricosa-3(23),4,6,15,17,21-hexaen-20-ol

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C2=CC=C(C=C2)F)C3=NN4C=C(N=C4C=C3)NC=O)N5CCN(CC5)CCC#N

DOS

IR

Vibrations