Geometry & MOs

Info

ID:	226689
PubChem CID:	87556895
Reduced:	AlO2C38H63 (1)
Stoich.:	AB2C38D63 (1)
Weight, g/mol:	218.091141
ΔH_f, kcal/mol:	-232.86
Dipole, Da:	0.2
IP(EA), eV:	-8.18(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminopropyl)piperidine-1-carbodithioic acid

Drug info:

PubChemData

Smile

CC[Al](OC1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)C(C)(C)C)OC2=C(C=C(C=C2C(C)(C)C)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations