Geometry & MOs

Info

ID:	445403
PubChem CID:	135266874
Reduced:	O3N6C22H36 (1)
Stoich.:	A3B6C22D36 (1)
Weight, g/mol:	255.219829
ΔH_f, kcal/mol:	-41.47
Dipole, Da:	7.72
IP(EA), eV:	-8.31(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]-6-methylheptan-2-imine

Drug info:

PubChemData

Smile

CCCN(C=O)N(CC)/C(=C/C(C)N=C1C=C(C(=CC1=N)N)OCCO)/N2CCCC2

DOS

IR

Vibrations