Geometry & MOs

Info

ID:	210242
PubChem CID:	80780448
Reduced:	S2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	302.156518
ΔH_f, kcal/mol:	76.61
Dipole, Da:	3.93
IP(EA), eV:	-8.48(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)SC)N(CC2=CSC=C2)C3CC3

DOS

IR

Vibrations