Geometry & MOs

Info

ID:	231745
PubChem CID:	87574554
Reduced:	Cl2S2O5N6H24C31 (1)
Stoich.:	A2B2C5D6E24F31 (1)
Weight, g/mol:	228.256549
ΔH_f, kcal/mol:	-82.42
Dipole, Da:	11.93
IP(EA), eV:	-9.16(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-N,1-N-dipentylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CC(CC(=O)OC(=O)CC(C)(C)C(=O)NC1=NC(=C(S1)C#N)C2=CC(=CC=C2)Cl)C(=O)NC3=NC(=C(S3)C#N)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations