Geometry & MOs

Info

ID:	210509
PubChem CID:	80817032
Reduced:	BrO2N4C9H13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	300.05857
ΔH_f, kcal/mol:	-63.1
Dipole, Da:	3.03
IP(EA), eV:	-8.93(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCOC(=O)CCNC1=NC(=NC=C1Br)N

DOS

IR

Vibrations