Geometry & MOs

Info

ID:	361311
PubChem CID:	127302506
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	361.172559
ΔH_f, kcal/mol:	-121.04
Dipole, Da:	5.0
IP(EA), eV:	-8.15(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]urea

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=NC=C(C=C2)NC(=O)N3C4CCC3CC(C4)O

DOS

IR

Vibrations