Geometry & MOs

Info

ID:	59123
PubChem CID:	24771087
Reduced:	O3N8C22H36 (1)
Stoich.:	A3B8C22D36 (1)
Weight, g/mol:	390.01162
ΔH_f, kcal/mol:	-110.5
Dipole, Da:	7.07
IP(EA), eV:	-8.24(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(6-bromopyridin-3-yl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one

Drug info:

PubChemData

Smile

CCC(CC)NC1=C2C(=NC(=N1)N3CC[C@H](C3)N)N(C=N2)C4C[C@@H]([C@H]([C@H]4O)O)NC(=O)CC

DOS

IR

Vibrations