Geometry & MOs

Info

ID:	276049
PubChem CID:	103820168
Reduced:	BrN4C8H13 (1)
Stoich.:	AB4C8D13 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	14.92
Dipole, Da:	2.78
IP(EA), eV:	-8.74(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(cyclopentylmethyl)-6-methoxypyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)NCC)Br

DOS

IR

Vibrations