Geometry & MOs

Info

ID:	218440
PubChem CID:	85089448
Reduced:	OCl3N3C22H38 (1)
Stoich.:	AB3C3D22E38 (1)
Weight, g/mol:	466.245917
ΔH_f, kcal/mol:	-145.33
Dipole, Da:	2.62
IP(EA), eV:	-8.49(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-N-(2-phenylethyl)piperidine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CN1CCCC1CN2CCC3=C2C=CC(=C3)OCCCN4CCCCC4.Cl.Cl.Cl

DOS

IR

Vibrations