Geometry & MOs

Info

ID:	175032
PubChem CID:	75847906
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	253.202836
ΔH_f, kcal/mol:	-77.01
Dipole, Da:	2.09
IP(EA), eV:	-8.86(0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-(1H-imidazol-3-ium-3-yl)butyl]-3-(3-methylbutan-2-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC(CN2CCNC2)O)C

DOS

IR

Vibrations