Geometry & MOs

Info

ID:	211221
PubChem CID:	80912137
Reduced:	BrN9H10C11 (1)
Stoich.:	AB9C10D11 (1)
Weight, g/mol:	298.130887
ΔH_f, kcal/mol:	166.38
Dipole, Da:	1.66
IP(EA), eV:	-9.32(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyrimidin-2-yl]hydrazine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=NC(=NC(=N2)N3C=NC=N3)NN)Br

DOS

IR

Vibrations