Geometry & MOs

Info

ID:	369333
PubChem CID:	127332351
Reduced:	ON2C11H18 (2)
Stoich.:	AB2C11D18 (2)
Weight, g/mol:	388.283826
ΔH_f, kcal/mol:	-96.39
Dipole, Da:	2.09
IP(EA), eV:	-9.09(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)NC2CCN(CC2)CC3=CC=CC=N3

DOS

IR

Vibrations