Geometry & MOs

Info

ID:	370007
PubChem CID:	127337128
Reduced:	FO2N7C15H20 (1)
Stoich.:	AB2C7D15E20 (1)
Weight, g/mol:	380.222369
ΔH_f, kcal/mol:	-31.19
Dipole, Da:	7.11
IP(EA), eV:	-9.34(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]urea

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)NCC3CN(CCO3)C)F

DOS

IR

Vibrations