Geometry & MOs

Info

ID:	164305
PubChem CID:	74382797
Reduced:	ON2F3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	330.03678
ΔH_f, kcal/mol:	-155.85
Dipole, Da:	5.64
IP(EA), eV:	-9.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-bromo-6,7-diazapentacyclo[13.2.1.01,12.03,11.04,8]octadeca-3(11),4(8),5,9,12-pentaen-14-ol

Drug info:

PubChemData

Smile

C1CC23CC1C(C(=C2C4=C(C3)C5=C(C=C4)NC=N5)C(F)(F)F)O

DOS

IR

Vibrations