Geometry & MOs

Info

ID:	201185
PubChem CID:	79503126
Reduced:	OSN5C11H11 (1)
Stoich.:	ABC5D11E11 (1)
Weight, g/mol:	251.17461
ΔH_f, kcal/mol:	32.23
Dipole, Da:	3.05
IP(EA), eV:	-9.09(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(aminomethyl)-2-methylpyrazol-3-yl]-3-cyclohexylurea

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)NC2=C(C=NN2)C(=S)N

DOS

IR

Vibrations