Geometry & MOs

Info

ID:	296609
PubChem CID:	117585739
Reduced:	N5C12H21 (1)
Stoich.:	A5B12C21 (1)
Weight, g/mol:	263.210996
ΔH_f, kcal/mol:	21.83
Dipole, Da:	2.09
IP(EA), eV:	-8.75(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(2-aminoethyl)-4-N-(cyclopentylmethyl)-4-N,2-dimethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NCC2CCC2)NCCN

DOS

IR

Vibrations