Geometry & MOs

Info

ID:	304718
PubChem CID:	124766091
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	413.94015
ΔH_f, kcal/mol:	-145.58
Dipole, Da:	4.87
IP(EA), eV:	-8.54(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6S,7R,8S,9S)-8,9-dibromo-4-(4-methylpyridin-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)[C@@H]2[C@H]3C=C[C@]4([C@H]2C(=O)N([C@H]4C(=O)NC(C)(C)C)CC(C)C)O3

DOS

IR

Vibrations