Geometry & MOs

Info

ID:	265356
PubChem CID:	103518110
Reduced:	BrN4C14H21 (1)
Stoich.:	AB4C14D21 (1)
Weight, g/mol:	326.07422
ΔH_f, kcal/mol:	20.94
Dipole, Da:	6.77
IP(EA), eV:	-8.64(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridin-3-amine

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C3=C(C=NC=C3N)Br

DOS

IR

Vibrations