Geometry & MOs

Info

ID:	137300
PubChem CID:	52185594
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	328.182516
ΔH_f, kcal/mol:	-7.67
Dipole, Da:	9.32
IP(EA), eV:	-9.12(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3-fluorophenyl)-3-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC[C@@H](C2=CC=CS2)N3CCCC3)[N+](=O)[O-]

DOS

IR

Vibrations