Geometry & MOs

Info

ID:	361316
PubChem CID:	127302511
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	374.223038
ΔH_f, kcal/mol:	38.11
Dipole, Da:	6.42
IP(EA), eV:	-8.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]urea

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)NC3=CC=CC(=C3)CN4C(=O)N5C=CC=CC5=N4)O

DOS

IR

Vibrations