Geometry & MOs

Info

ID:	210627
PubChem CID:	80831944
Reduced:	N5C12H21 (1)
Stoich.:	A5B12C21 (1)
Weight, g/mol:	314.07422
ΔH_f, kcal/mol:	19.14
Dipole, Da:	2.94
IP(EA), eV:	-8.53(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC)NCCN2CCCC2

DOS

IR

Vibrations