Geometry & MOs

Info

ID:	431214
PubChem CID:	135171284
Reduced:	O2N7C21H25 (1)
Stoich.:	A2B7C21D25 (1)
Weight, g/mol:	360.252526
ΔH_f, kcal/mol:	42.92
Dipole, Da:	7.94
IP(EA), eV:	-8.79(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-ethylimino-4-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-N,N,3-trimethylbut-2-en-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN(N=C3)C)C(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations