Geometry & MOs

Info

ID:	296575
PubChem CID:	117584596
Reduced:	N3C6H8 (2)
Stoich.:	A3B6C8 (2)
Weight, g/mol:	327.01533
ΔH_f, kcal/mol:	76.02
Dipole, Da:	4.08
IP(EA), eV:	-8.77(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(2-aminoethyl)-4-N-[(4-bromothiophen-2-yl)methyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CN(C1=CN=CC=C1)C2=NC=NC(=C2)NCCN

DOS

IR

Vibrations