Geometry & MOs

Info

ID:	207188
PubChem CID:	80356878
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	242.091609
ΔH_f, kcal/mol:	-95.73
Dipole, Da:	4.39
IP(EA), eV:	-8.07(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-1H-pyrazol-5-yl)-3-(4-cyanophenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CC2CCCCO2)N

DOS

IR

Vibrations