Geometry & MOs

Info

ID:	185229
PubChem CID:	77272607
Reduced:	N4O5C28H48 (1)
Stoich.:	A4B5C28D48 (1)
Weight, g/mol:	421.175004
ΔH_f, kcal/mol:	-274.88
Dipole, Da:	3.46
IP(EA), eV:	-8.68(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(hydroxymethyl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC(CC1)N(C2CC(N(C2)C(=O)OC(C)(C)C)C(=O)N3CCN(CC3)C)C(=O)C4CCCO4)C

DOS

IR

Vibrations