Geometry & MOs

Info

ID:	367356
PubChem CID:	127324308
Reduced:	OSN4C15H24 (1)
Stoich.:	ABC4D15E24 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-15.65
Dipole, Da:	3.54
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-cyanophenoxy)cyclohexyl]-3-(1-cyclopropylpyrrolidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)C(C)NC(=O)NC2CCN(C2)C3CC3

DOS

IR

Vibrations