Geometry & MOs

Info

ID:	362301
PubChem CID:	127307323
Reduced:	ON6C18H30 (1)
Stoich.:	AB6C18D30 (1)
Weight, g/mol:	351.224595
ΔH_f, kcal/mol:	-23.67
Dipole, Da:	2.24
IP(EA), eV:	-8.42(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NC2CCN(CC2)C3=CC=CC=N3)C

DOS

IR

Vibrations