Geometry & MOs

Info

ID:	175687
PubChem CID:	75937432
Reduced:	ClN2O2F3C14H18 (1)
Stoich.:	AB2C2D3E14F18 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-241.82
Dipole, Da:	1.23
IP(EA), eV:	-9.47(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC(COCC(F)(F)F)NC(=O)N(C)CC1=CC=CC=C1Cl

DOS

IR

Vibrations