Geometry & MOs

Info

ID:	201157
PubChem CID:	79496479
Reduced:	SN4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	299.099395
ΔH_f, kcal/mol:	36.97
Dipole, Da:	3.72
IP(EA), eV:	-9.08(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-[3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)CN1C(=NCC1(C)C2=NC=CS2)N

DOS

IR

Vibrations