Geometry & MOs

Info

ID:

271769

PubChem CID:

103691254

Reduced:

NO2C12H23 (1)

Stoich.:

AB2C12D23 (1)

Weight, g/mol:

253.204179

ΔHf, kcal/mol:

-139.64

Dipole, Da:

4.8

IP(EA), eV:

-9.76(1.22)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[(3-hydroxycyclohexyl)methyl]cycloheptanecarboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NCC1CCCC(C1)O

DOS

IR

Vibrations