Geometry & MOs

Info

ID:	210681
PubChem CID:	80839969
Reduced:	O2N5C14H23 (1)
Stoich.:	A2B5C14D23 (1)
Weight, g/mol:	371.04154
ΔH_f, kcal/mol:	5.53
Dipole, Da:	1.43
IP(EA), eV:	-9.1(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(3-bromothiophen-2-yl)methyl]-4-N-ethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCC1)C2=NC=NC(=C2[N+](=O)[O-])NC

DOS

IR

Vibrations