Geometry & MOs

Info

ID:	362268
PubChem CID:	127307281
Reduced:	O2N3C17H27 (1)
Stoich.:	A2B3C17D27 (1)
Weight, g/mol:	319.200825
ΔH_f, kcal/mol:	-77.95
Dipole, Da:	4.91
IP(EA), eV:	-9.45(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1-methyl-1-(2-pyrazol-1-ylethyl)urea

Drug info:

PubChemData

Smile

C=CC1CCN(CC1)C(=O)NC2CCN(CC2)C(=O)C3CC3

DOS

IR

Vibrations