Geometry & MOs

Info

ID:	139817
PubChem CID:	52601752
Reduced:	O2N4C23H35 (1)
Stoich.:	A2B4C23D35 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-0.38
Dipole, Da:	3.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753084
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1OCC[NH+]2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)C

DOS

IR

Vibrations