Geometry & MOs

Info

ID:	291329
PubChem CID:	111978648
Reduced:	O3N4C25H34 (1)
Stoich.:	A3B4C25D34 (1)
Weight, g/mol:	431.28964
ΔH_f, kcal/mol:	-73.26
Dipole, Da:	9.09
IP(EA), eV:	-8.75(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CN=C(NCC1=C(C=C(C=C1)OC)OC)NCC(=O)N2CCC(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations