Geometry & MOs

Info

ID:	394417
PubChem CID:	135022931
Reduced:	BrO4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	476.200097
ΔH_f, kcal/mol:	-190.77
Dipole, Da:	2.23
IP(EA), eV:	-9.66(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S)-5,8-dipyridin-2-yl-6,7-diazaheptacyclo[10.6.6.13,10.02,11.04,9.013,18.019,24]pentacosa-4(9),5,7,13,15,17,19,21,23-nonaene

Drug info:

PubChemData

Smile

C[C@@]1(CC2C=CC1C(=O)[C@]2(C)CC(C(C)(C)O)Br)C(=O)OC

DOS

IR

Vibrations