Geometry & MOs

Info

ID:	432213
PubChem CID:	135172345
Reduced:	BrN7C17H24 (1)
Stoich.:	AB7C17D24 (1)
Weight, g/mol:	368.207307
ΔH_f, kcal/mol:	78.67
Dipole, Da:	8.37
IP(EA), eV:	-8.48(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-methyl-6-(4-methyl-1,3-oxazol-2-yl)-3-(2-methylpropanimidoyl)-4-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2,4-diamine

Drug info:

PubChemData

Smile

CCCCC(C)C1=NN(C2=C1C(=CC(=N2)Br)NCC3=NN(C=N3)C)C

DOS

IR

Vibrations