Geometry & MOs

Info

ID:	355946
PubChem CID:	127290936
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	325.236542
ΔH_f, kcal/mol:	-82.33
Dipole, Da:	7.45
IP(EA), eV:	-9.7(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

CCC1CCC(CC1)NC(=O)N2CCOC(C2)C#N

DOS

IR

Vibrations