Geometry & MOs

Info

ID:	210663
PubChem CID:	80836761
Reduced:	O2N4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	317.93416
ΔH_f, kcal/mol:	-18.17
Dipole, Da:	6.93
IP(EA), eV:	-8.82(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(5-bromothiophen-2-yl)methyl]-5-chloropyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=C(C=C1)[N+](=O)[O-])N(CC)CC(C)CC

DOS

IR

Vibrations