Geometry & MOs

Info

ID:	58519
PubChem CID:	24702226
Reduced:	BrN2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	50.63
Dipole, Da:	2.73
IP(EA), eV:	-8.51(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-diazepan-1-yl)-2-(1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C2=C(C=C(C=C2)Br)N

DOS

IR

Vibrations