Geometry & MOs

Info

ID:	223644
PubChem CID:	85335357
Reduced:	N2O3C12H18 (2)
Stoich.:	A2B3C12D18 (2)
Weight, g/mol:	470.148761
ΔH_f, kcal/mol:	-251.88
Dipole, Da:	6.1
IP(EA), eV:	-9.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-(4-ethyl-2,3-dioxopiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)COC(=O)NC(CC1CCC2C(C1)C(=O)C(=CO2)CCCNC3=NC=CN3)C(=O)O

DOS

IR

Vibrations