Geometry & MOs

Info

ID:	367206
PubChem CID:	127323978
Reduced:	O2F3N4C18H27 (1)
Stoich.:	A2B3C4D18E27 (1)
Weight, g/mol:	343.237211
ΔH_f, kcal/mol:	-245.94
Dipole, Da:	4.76
IP(EA), eV:	-9.2(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[(2-piperidin-1-ylpyridin-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)NC3CCC(CC3)C(F)(F)F)C

DOS

IR

Vibrations