Geometry & MOs

Info

ID:	137369
PubChem CID:	52199380
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-56.96
Dipole, Da:	8.35
IP(EA), eV:	-8.83(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylurea

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)N[C@H](C)C(=O)NC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations