Geometry & MOs

Info

ID:	210657
PubChem CID:	80836469
Reduced:	ON6C14H22 (1)
Stoich.:	AB6C14D22 (1)
Weight, g/mol:	326.02008
ΔH_f, kcal/mol:	-16.61
Dipole, Da:	6.53
IP(EA), eV:	-8.58(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(5-bromothiophen-2-yl)methyl]-6-N-ethyl-2-methylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC(=N1)C)N2CCN3C(C2)CNC3=O)C

DOS

IR

Vibrations