Geometry & MOs

Info

ID:	370013
PubChem CID:	127337222
Reduced:	OF2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	361.272927
ΔH_f, kcal/mol:	-86.65
Dipole, Da:	4.06
IP(EA), eV:	-8.57(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantyl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC(C)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations