Geometry & MOs

Info

ID:	218473
PubChem CID:	85089502
Reduced:	O2N6C27H29 (1)
Stoich.:	A2B6C27D29 (1)
Weight, g/mol:	470.310435
ΔH_f, kcal/mol:	82.47
Dipole, Da:	5.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.859287
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl N-[4-methyl-1-[[4-methyl-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC(=NC3=C4C(=CC=C5C4=NC=CN5)[N+](=O)C=C3)C=C(C2=O)CN6CCCC6

DOS

IR

Vibrations