Geometry & MOs

Info

ID:	318973
PubChem CID:	126654014
Reduced:	BrO3N7H30C31 (1)
Stoich.:	AB3C7D30E31 (1)
Weight, g/mol:	335.06332
ΔH_f, kcal/mol:	30.87
Dipole, Da:	3.28
IP(EA), eV:	-9.22(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-N-(6-bromo-3-cyclopropylpyridin-2-yl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4[C@@H](C[C@@]5(C4C5)C)C(=O)NC6=C(C=CC(=N6)Br)C7CC7

DOS

IR

Vibrations