Geometry & MOs

Info

ID:	246325
PubChem CID:	103059218
Reduced:	ClON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	254.235814
ΔH_f, kcal/mol:	5.53
Dipole, Da:	5.32
IP(EA), eV:	-8.85(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[butyl(cyclopropyl)amino]methyl]-N-ethyloxan-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC=C(N=C1)COC2=C(C=CC(=C2)Cl)C

DOS

IR

Vibrations