Geometry & MOs

Info

ID:	361296
PubChem CID:	127302491
Reduced:	ClFN2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	399.224595
ΔH_f, kcal/mol:	-37.8
Dipole, Da:	7.03
IP(EA), eV:	-9.1(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)NC3=C(C(=CC=C3)Cl)F)O

DOS

IR

Vibrations