Geometry & MOs

Info

ID:	210625
PubChem CID:	80831942
Reduced:	N5C14H25 (1)
Stoich.:	A5B14C25 (1)
Weight, g/mol:	295.183067
ΔH_f, kcal/mol:	17.17
Dipole, Da:	5.43
IP(EA), eV:	-8.62(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1NCCN2CCCC2)NC

DOS

IR

Vibrations