Geometry & MOs

Info

ID:	170132
PubChem CID:	75201641
Reduced:	Br3N4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	39.17
Dipole, Da:	7.93
IP(EA), eV:	-8.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(hydroxyamino)methylidene]-6-[5-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pentyl]pyridin-3-one

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)N)NC2=NC3=C(C(=C(C4=C3N2CCC4)Br)Br)Br

DOS

IR

Vibrations