Geometry & MOs

Info

ID:	352957
PubChem CID:	127284048
Reduced:	O2N7C20H21 (1)
Stoich.:	A2B7C20D21 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	38.65
Dipole, Da:	8.01
IP(EA), eV:	-9.06(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)N3CCC(CC3)C4=NN=C5N4C=CC=C5

DOS

IR

Vibrations