Geometry & MOs

Info

ID:

371048

PubChem CID:

127342236

Reduced:

O2N7C14H21 (1)

Stoich.:

A2B7C14D21 (1)

Weight, g/mol:

361.216555

ΔHf, kcal/mol:

17.95

Dipole, Da:

1.92

IP(EA), eV:

-9.3(-0.4)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-[[1-(4-fluorophenyl)cyclohexyl]methyl]-3-(1-methyl-6-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)NCC3=CN(N=C3)C

DOS

IR

Vibrations