Geometry & MOs

Info

ID:	296580
PubChem CID:	117584980
Reduced:	BrO2N4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	251.17461
ΔH_f, kcal/mol:	-19.76
Dipole, Da:	5.64
IP(EA), eV:	-9.24(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-[(1-methylpyrrolidin-3-yl)methylamino]pyrimidin-4-yl]amino]ethanol

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1Br)C2=NC=NC(=C2)NCC(=O)O

DOS

IR

Vibrations