Geometry & MOs

Info

ID:	175190
PubChem CID:	75864941
Reduced:	ON4C19H33 (1)
Stoich.:	AB4C19D33 (1)
Weight, g/mol:	395.244701
ΔH_f, kcal/mol:	-34.94
Dipole, Da:	3.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755506
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(3-indol-1-ylpropyl)urea

Drug info:

PubChemData

Smile

CC1(CC(CC([NH2+]1)(C)C)NC(=O)N2CCCC2C3=CC=CN3C)C

DOS

IR

Vibrations