Geometry & MOs

Info

ID:	290646
PubChem CID:	109812551
Reduced:	O3N4C21H34 (1)
Stoich.:	A3B4C21D34 (1)
Weight, g/mol:	412.304956
ΔH_f, kcal/mol:	-94.69
Dipole, Da:	5.25
IP(EA), eV:	-9.08(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-[[N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CN=C(NCC(C1=CC=CC=C1)N2CCOCC2)NCC3(CCOC3)CCO

DOS

IR

Vibrations