Geometry & MOs

Info

ID:	369334
PubChem CID:	127332352
Reduced:	ON2C11H18 (2)
Stoich.:	AB2C11D18 (2)
Weight, g/mol:	353.267842
ΔH_f, kcal/mol:	-101.88
Dipole, Da:	2.41
IP(EA), eV:	-8.59(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyloxan-3-yl)methyl]-3-(3-oxo-3-piperidin-1-ylpropyl)urea

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)NCC2=CC(=NC=C2)N3CCCCC3

DOS

IR

Vibrations