Geometry & MOs

Info

ID:	271166
PubChem CID:	103645946
Reduced:	ClON2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	297.98878
ΔH_f, kcal/mol:	29.67
Dipole, Da:	7.47
IP(EA), eV:	-9.15(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CN=C(C=C3)Cl

DOS

IR

Vibrations