Geometry & MOs

Info

ID:	139770
PubChem CID:	52592241
Reduced:	ClON2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	378.179322
ΔH_f, kcal/mol:	-10.98
Dipole, Da:	2.99
IP(EA), eV:	-8.59(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)N2CCC3=CC=CC=C32

DOS

IR

Vibrations