Geometry & MOs

Info

ID:	137324
PubChem CID:	52190938
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-70.64
Dipole, Da:	7.59
IP(EA), eV:	-8.68(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(2,5-dimethylpyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3OC)C

DOS

IR

Vibrations