Geometry & MOs

Info

ID:	184614
PubChem CID:	77183960
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-89.56
Dipole, Da:	6.34
IP(EA), eV:	-9.41(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[3-(3-methoxyprop-1-enyl)-1-methylpiperidin-4-yl]pyridine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NN2C=C(C=CC2=N1)C3=CC=C(C=C3)C(C)N4CCC(OC4=O)(CC(C)(C)O)C(C)C

DOS

IR

Vibrations