Geometry & MOs

Info

ID:	272714
PubChem CID:	103752677
Reduced:	BrON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	308.05243
ΔH_f, kcal/mol:	-7.48
Dipole, Da:	3.59
IP(EA), eV:	-9.41(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-bromopyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CCNC(=O)C2=C(N=CC=C2)Br

DOS

IR

Vibrations