Geometry & MOs

Info

ID:	291364
PubChem CID:	112055966
Reduced:	NSO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	472.19104
ΔH_f, kcal/mol:	-98.39
Dipole, Da:	2.41
IP(EA), eV:	-9.01(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[N-ethyl-N'-(2-ethyl-2-hydroxybutyl)carbamimidoyl]amino]propyl]carbamate;hydroiodide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(=O)NCC2=CC=CC=C2OCCO

DOS

IR

Vibrations