Geometry & MOs

Info

ID:	284096
PubChem CID:	104036046
Reduced:	NC3H5 (4)
Stoich.:	AB3C5 (4)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	19.7
Dipole, Da:	5.06
IP(EA), eV:	-8.54(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,2-dimethyloxan-4-yl)-2-N-propylpyridine-2,4-diamine

Drug info:

PubChemData

Smile

CC1CCCC(N1NC2=CC(=NC=C2)N)C

DOS

IR

Vibrations