Geometry & MOs

Info

ID:	189974
PubChem CID:	77935089
Reduced:	O2N7C23H25 (1)
Stoich.:	A2B7C23D25 (1)
Weight, g/mol:	492.310041
ΔH_f, kcal/mol:	81.79
Dipole, Da:	6.29
IP(EA), eV:	-9.05(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-(ethylamino)-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CN=C(N=C1)C2=CC(=CC=C2)C(CCC#N)C3=NN(C=CC3=O)C4CNNC4

DOS

IR

Vibrations