Geometry & MOs

Info

ID:	74061
PubChem CID:	48421409
Reduced:	N2O5C19H22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	348.05857
ΔH_f, kcal/mol:	-146.91
Dipole, Da:	3.08
IP(EA), eV:	-8.36(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-bromophenyl)cyclopropyl]-3-(1-ethylpyrazol-4-yl)urea

Drug info:

PubChemData

Smile

CN(CC(COCC1=CC=CC=C1)O)C(=O)NC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations