Geometry & MOs

Info

ID:	354428
PubChem CID:	127286872
Reduced:	O2N3C23H37 (1)
Stoich.:	A2B3C23D37 (1)
Weight, g/mol:	393.218305
ΔH_f, kcal/mol:	-99.4
Dipole, Da:	3.81
IP(EA), eV:	-8.59(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-3-[(1-ethylpiperidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CCOCC2)CNC(=O)NCC3CCCN(C3)C(C)C

DOS

IR

Vibrations