Geometry & MOs

Info

ID:	355969
PubChem CID:	127290959
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	297.241627
ΔH_f, kcal/mol:	-41.99
Dipole, Da:	7.85
IP(EA), eV:	-9.38(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(CC2)NC(=O)N3CCOC(C3)C#N

DOS

IR

Vibrations