Geometry & MOs

Info

ID:	196389
PubChem CID:	78818692
Reduced:	ON3C11H17 (2)
Stoich.:	AB3C11D17 (2)
Weight, g/mol:	344.121944
ΔH_f, kcal/mol:	-69.27
Dipole, Da:	3.99
IP(EA), eV:	-8.53(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(4-fluorophenyl)-6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC(=O)N1CCN(CC1)CC(=O)NC2=C(C(=C(N2C3CCCCC3)C)C)C#N

DOS

IR

Vibrations