Geometry & MOs

Info

ID:	290008
PubChem CID:	104397340
Reduced:	BrClN2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	228.140868
ΔH_f, kcal/mol:	-8.11
Dipole, Da:	1.99
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(2-methylpropyl)-2-N-(thiadiazol-5-ylmethyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)CNCC(C)NCC1=C(C=C(C=C1)Br)Cl

DOS

IR

Vibrations